A0A5K4F7M7_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7M7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 333 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.1Very low52.2Low242 Ų242164 Ų164100%1.19286%0.861SS**  01140-140157.9167.800106.9
2N47.2Very low51.8Low164 Ų164159.5 Ų159.588%0.87785%0.854SS**  trans54.2105171.3-65.2-1.3000121.6
3M44.2Very low52.2Low172 Ų172156.4 Ų156.485%0.84785%0.847SS**  trans-81.9167.2156.4-68.8-177.816300111.6
4N52.8Low51.7Low140 Ų140152.2 Ų152.275%0.74984%0.836SS**  trans100.5105.2156.4-56.6-20.1000116.1
5D55.4Low51.5Low155 Ų155155.4 Ų155.483%0.82984%0.842SS**  -173.895.5121-84.9-23.5000109.2
6C60.7Low51.6Low136 Ų136153.3 Ų153.392%0.91984%0.836SS**  trans-96.8100.3172.8-1240000108.8T8C6-T8 PolarHBondContact O-N 3.46Å
7Q59.1Low51.1Low179 Ų179151.4 Ų151.484%0.83684%0.837SS**  trans-72.5121.8172.7-66.7-179.419.900110.1T9Q7-T9 PolarHBondContact O-N 3.28Å
8T55.6Low51.4Low132 Ų132150.3 Ų150.381%0.8184%0.835SS**  trans-70.7104173.3-55.50000109.9C6 M10C6-T8 PolarHBondContact O-N 3.46Å; T8-M10 PolarHBondContact O-N 2.73Å
9T56.3Low51.4Low110 Ų110151.1 Ų151.168%0.67583%0.832SS**  trans-70.4114.9169.544.50000110.5Q7 F11Q7-T9 PolarHBondContact O-N 3.28Å; T9-F11 PolarHBondContact O-N 2.89Å
10M45.8Very low51.1Low183 Ų183151.4 Ų151.490%0.90183%0.832SS**  trans-63.2109.9172.6-69.4-85.4-80.200110.6T8T8-M10 PolarHBondContact O-N 2.73Å
11F51.4Low51.1Low191 Ų191148.9 Ų148.984%0.83882%0.821SS**  trans-85.5114.1165.9-89.8-85000109.8T9T9-F11 PolarHBondContact O-N 2.89Å
12S47Very low51Low110 Ų110145.1 Ų145.177%0.76980%0.8SS**  trans-84.7130169.7-1770000109.9
13P57.1Low51.2Low119 Ų119143.9 Ų143.977%0.77379%0.793SS**  trans-101.4103.7162.711.87.9000110.3
14S45.9Very low51.5Low98 Ų98145.6 Ų145.669%0.68580%0.796SS**  trans24.1117136.9-54.50000119.2T16S14-T16 PolarHBondContact O-N 3.42Å
15Q48.5Very low51.2Low200 Ų200144.1 Ų144.194%0.93580%0.795SS**  trans-58.4115160.9-59170.719.800109.7
16T52.9Low51.2Low121 Ų121146.5 Ų146.574%0.74280%0.799SS**  trans-109.1111.1164.849.50000108.6S14S14-T16 PolarHBondContact O-N 3.42Å
17S43.7Very low50.6Low121 Ų121144.5 Ų144.585%0.84679%0.791SS**  trans-71.5122.5168.556.40000108.6
18T55.8Low50.6Low132 Ų132145.2 Ų145.281%0.8179%0.792SS**  trans-125.4125165.751.80000110.4
19H52.2Low50.7Low166 Ų166148.9 Ų148.977%0.76980%0.796SS**  trans-50.4132.7-176.8-168.9-54.7000113.8V21H19-V21 WeakPolarHBondContact CE1-CG2 3.38Å; H19-V21 WeakPolarHBondContact ND1-CG2 3.37Å; H19-V21 PolarHBondContact O-N 3.08Å
20N44.8Very low50.6Low156 Ų156152.5 Ų152.583%0.83481%0.806SS**  trans-73.9108.8172.8-171.3-5.2000109.9
21V50.8Low50.8Low100 Ų100146.8 Ų146.861%0.60679%0.793SS**  trans-150.6130.6159.1-151.60000108.5H19H19-V21 WeakPolarHBondContact CE1-CG2 3.38Å; H19-V21 WeakPolarHBondContact ND1-CG2 3.37Å; H19-V21 PolarHBondContact O-N 3.08Å
22H44.5Very low51.1Low162 Ų162149.6 Ų149.675%0.7580%0.798SS**  trans60.798157-105.4-82.8000118.5
23D50Low51.8Low138 Ų138152.5 Ų152.574%0.73880%0.8SS**  -174125.7101.9-106.9-19.3000113.1C25D23-C25 PolarHBondContact O-N 3.47Å
24K51.7Low52Low209 Ų209149.1 Ų149.191%0.90978%0.779SS**  trans-77.161.6171.8-68.1-176.5176.7178.40110.3
25C47.1Very low53.4Low108 Ų108151.3 Ų151.373%0.7379%0.788SS**  trans-96.596.4167.6-96.90000109.8D23 A27D23-C25 PolarHBondContact O-N 3.47Å; C25-A27 PolarHBondContact O-N 2.89Å
26K55.1Low54.7Low206 Ų206146.3 Ų146.390%0.89677%0.767SS**  trans-67.473.6172.5-68.9-168.2177.4-177.80110.8K28K26-K28 VanDerWaalsContact C-N 3.33Å; K26-K28 PolarHBondContact O-N 3.31Å
27A47.9Very low56.3Low93 Ų93144.1 Ų144.177%0.76976%0.755SS**  trans-82.977.7166.900000109.5C25C25-A27 PolarHBondContact O-N 2.89Å
28K58.5Low58.2Low195 Ų195144.4 Ų144.485%0.84875%0.746SS**  trans-126.262.3163.1-68-167.4-179.4-172.80109.3K26 H30K26-K28 VanDerWaalsContact C-N 3.33Å; K26-K28 PolarHBondContact O-N 3.31Å; K28-H30 VanDerWaalsContact C-N 3.27Å; K28-H30 PolarHBondContact O-N 3.42Å
29K58.2Low59.7Low208 Ų208144.6 Ų144.690%0.90474%0.738SS**  trans-92.657.7168.3-68.4-176-179.5176.20109.2G31K29-G31 PolarHBondContact O-N 3.17Å
30H54.5Low61.5Low187 Ų187143.3 Ų143.387%0.86673%0.727SS**  trans-74.5121.9166.5-86.1-53.7000108.9K28K28-H30 VanDerWaalsContact C-N 3.27Å; K28-H30 PolarHBondContact O-N 3.42Å
31G48.6Very low63.5Low62 Ų62140 Ų14064%0.63970%0.703SS**  trans-25.3129.8-174.200000116.5K29 Q33K29-G31 PolarHBondContact O-N 3.17Å; G31-Q33 VanDerWaalsContact C-N 3.34Å; G31-Q33 PolarHBondContact O-N 3.02Å
32R58.5Low65.4Low251 Ų251138.7 Ų138.795%0.94769%0.693SS**  trans-51.1100.8159.9-77.3178.1165.6-124.9-0.6108.2S34R32-S34 PolarHBondContact O-N 3.42Å
33Q60.8Low67.7Low171 Ų171135.5 Ų135.580%0.79968%0.678SS**  trans-48.6108.9162.7-72.5-92.14.900106.1G31 T35G31-Q33 VanDerWaalsContact C-N 3.34Å; G31-Q33 PolarHBondContact O-N 3.02Å; Q33-T35 PolarHBondContact O-N 3.44Å
34S62.8Low69.8Low47 Ų47132.2 Ų132.233%0.32966%0.663SS.*  trans-58.6130.1-177.3131.40000109.2R32 I36 R41R32-S34 PolarHBondContact O-N 3.42Å; S34-I36 PolarHBondContact O-N 2.95Å; S34-I36 VanDerWaalsContact O-N 3.08Å; S34-I36 VanDerWaalsContact OG-CB 3.27Å; S34-I36 WeakPolarHBondContact OG-CB 3.39Å; S34-I36 WeakPolarHBondContact OG-CG1 3.35Å; S34-I36 PolarHBondContact OG-N 3.48Å; S34-R41 VanDerWaalsContact C-NH2 3.34Å; S34-R41 PolarHBondContact O-NH2 3.05Å; S34-R41 PolarHBondContact OG-NE 3.47Å; S34-R41 VanDerWaalsContact OG-NE 3.1Å; S34-R41 PolarHBondContact OG-NH2 3.41Å
35T75.3Confident71.8Confident144 Ų144131 Ų13188%0.88365%0.653SS**  trans-68.9-4.5176.5-400000112.5Q33 P37Q33-T35 PolarHBondContact O-N 3.44Å; T35-P37 WeakPolarHBondContact O-CD 3.48Å
36I75.6Confident74Confident95 Ų95134.1 Ų134.149%0.48765%0.649SS.*SBendtrans-70.1122.5179.4-53170.5000109S34 R41S34-I36 PolarHBondContact O-N 2.95Å; S34-I36 VanDerWaalsContact O-N 3.08Å; S34-I36 VanDerWaalsContact OG-CB 3.27Å; S34-I36 WeakPolarHBondContact OG-CB 3.39Å; S34-I36 WeakPolarHBondContact OG-CG1 3.35Å; S34-I36 PolarHBondContact OG-N 3.48Å; I36-R41 HydrophobicContact CB-CG 4.09Å; I36-R41 HydrophobicContact CG2-CG 3.84Å; I36-R41 PolarHBondContact O-NE 2.89Å
37P85.8Confident75.9Confident76 Ų76129.2 Ų129.249%0.49463%0.632SS.*  trans-56.1143.9177.8-19.929.2000111.4T35 E39 Y40 R41T35-P37 WeakPolarHBondContact O-CD 3.48Å; P37-E39 PolarHBondContact O-N 3.31Å; P37-Y40 HydrophobicContact CB-CD2 3.97Å; P37-Y40 HydrophobicContact CG-CD2 3.84Å; P37-Y40 HydrophobicContact CG-CE2 4.32Å; P37-Y40 PolarHBondContact O-N 2.99Å; P37-R41 PolarHBondContact O-N 3.21Å
38L82.8Confident78.2Confident127 Ų127132 Ų13267%0.66563%0.627SS**Hα-helixtrans-54.1-38.6-175.2-69.2172.4000112.6Y40 R41 D42L38-Y40 PolarHBondContact O-N 3.16Å; L38-R41 WeakPolarHBondContact O-CB 3.47Å; L38-R41 PolarHBondContact O-N 3.2Å; L38-R41 VanDerWaalsContact O-N 3.14Å; L38-D42 PolarHBondContact O-N 3.16Å
39E87.5Confident80Confident135 Ų135130.5 Ų130.563%0.63162%0.621SS**Hα-helixtrans-58.6-45.9177.4-173.6176.5-173.300112.7P37 R41 D42 Q43P37-E39 PolarHBondContact O-N 3.31Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.03Å; E39-D42 PolarHBondContact O-N 3.06Å; E39-Q43 WeakPolarHBondContact O-CG 3.42Å; E39-Q43 PolarHBondContact O-N 3.41Å
40Y89.6Confident81.9Confident139 Ų139125.5 Ų125.555%0.54560%0.6SS.*Hα-helixtrans-65.1-36.4176.3-77.9-81.9000112P37 L38 D42 T44P37-Y40 HydrophobicContact CB-CD2 3.97Å; P37-Y40 HydrophobicContact CG-CD2 3.84Å; P37-Y40 HydrophobicContact CG-CE2 4.32Å; P37-Y40 PolarHBondContact O-N 2.99Å; L38-Y40 PolarHBondContact O-N 3.16Å; Y40-D42 VanDerWaalsContact C-N 3.34Å; Y40-T44 WeakPolarHBondContact O-CB 3.44Å; Y40-T44 PolarHBondContact O-N 3.01Å; Y40-T44 PolarHBondContact O-OG1 3.44Å
41R88Confident83.9Confident87 Ų87120.2 Ų120.233%0.32858%0.578SS.*Hα-helixtrans-64.3-41.8175.5-60.5-171.9-167.7-175.66.5111.1S34 I36 P37 L38 E39 T44 R45S34-R41 VanDerWaalsContact C-NH2 3.34Å; S34-R41 PolarHBondContact O-NH2 3.05Å; S34-R41 PolarHBondContact OG-NE 3.47Å; S34-R41 VanDerWaalsContact OG-NE 3.1Å; S34-R41 PolarHBondContact OG-NH2 3.41Å; I36-R41 HydrophobicContact CB-CG 4.09Å; I36-R41 HydrophobicContact CG2-CG 3.84Å; I36-R41 PolarHBondContact O-NE 2.89Å; P37-R41 PolarHBondContact O-N 3.21Å; L38-R41 WeakPolarHBondContact O-CB 3.47Å; L38-R41 PolarHBondContact O-N 3.2Å; L38-R41 VanDerWaalsContact O-N 3.14Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.03Å; R41-T44 PolarHBondContact O-N 2.81Å; R41-R45 WeakPolarHBondContact O-CB 3.14Å; R41-R45 PolarHBondContact O-N 2.94Å
42D90.8Very high86.2Confident73 Ų73122.3 Ų122.339%0.3958%0.575SS.*Hα-helixtrans-70.8-40.9178.8-79.4-15.4000112.4L38 E39 Y40 T44 R45 R46L38-D42 PolarHBondContact O-N 3.16Å; E39-D42 PolarHBondContact O-N 3.06Å; Y40-D42 VanDerWaalsContact C-N 3.34Å; D42-T44 VanDerWaalsContact C-N 3.33Å; D42-T44 PolarHBondContact O-N 3.24Å; D42-R45 PolarHBondContact O-N 3.14Å; D42-R46 WeakPolarHBondContact O-CB 3.19Å; D42-R46 VanDerWaalsContact O-CG 3.23Å; D42-R46 WeakPolarHBondContact O-CG 3.45Å; D42-R46 PolarHBondContact O-N 3.31Å
43Q93.3Very high88Confident94 Ų94113 Ų11344%0.43954%0.542SS..Hα-helixtrans-58.7-45.4171.5-72.5176.30.500111.2E39 R45 R46 L47E39-Q43 WeakPolarHBondContact O-CG 3.42Å; E39-Q43 PolarHBondContact O-N 3.41Å; Q43-R45 PolarHBondContact O-N 3.18Å; Q43-R46 PolarHBondContact O-N 3.32Å; Q43-L47 WeakPolarHBondContact O-CB 3.25Å; Q43-L47 PolarHBondContact O-N 3.41Å
44T93.3Very high89.8Confident70 Ų70111.9 Ų111.943%0.42953%0.53SS..Hα-helixtrans-62.5-43176.3-58.10000111.5Y40 R41 D42 L47 K48Y40-T44 WeakPolarHBondContact O-CB 3.44Å; Y40-T44 PolarHBondContact O-N 3.01Å; Y40-T44 PolarHBondContact O-OG1 3.44Å; R41-T44 PolarHBondContact O-N 2.81Å; D42-T44 VanDerWaalsContact C-N 3.33Å; D42-T44 PolarHBondContact O-N 3.24Å; T44-L47 PolarHBondContact O-N 3.2Å; T44-K48 HydrophobicContact CG2-CD 4.25Å; T44-K48 HydrophobicContact CG2-CG 4.43Å; T44-K48 WeakPolarHBondContact O-CB 3.39Å; T44-K48 WeakPolarHBondContact O-CG 3.38Å; T44-K48 PolarHBondContact O-N 2.87Å
45R92.8Very high91.5Very high182 Ų182116.9 Ų116.969%0.68754%0.542SS*.Hα-helixtrans-60.9-45.3176.2-173.5-168.6-65-104.13.5111R41 D42 Q43 K48 K49R41-R45 WeakPolarHBondContact O-CB 3.14Å; R41-R45 PolarHBondContact O-N 2.94Å; D42-R45 PolarHBondContact O-N 3.14Å; Q43-R45 PolarHBondContact O-N 3.18Å; R45-K48 PolarHBondContact O-N 3.28Å; R45-K49 WeakPolarHBondContact O-CB 3.49Å; R45-K49 PolarHBondContact O-N 2.86Å
46R94.6Very high92.6Very high174 Ų174116.5 Ų116.566%0.65752%0.524SS*.Hα-helixtrans-60.4-46.5176.5-71.2171.4-171.5-1674.9111.1D42 Q43 K49 Q50D42-R46 WeakPolarHBondContact O-CB 3.19Å; D42-R46 VanDerWaalsContact O-CG 3.23Å; D42-R46 WeakPolarHBondContact O-CG 3.45Å; D42-R46 PolarHBondContact O-N 3.31Å; Q43-R46 PolarHBondContact O-N 3.32Å; R46-K49 WeakPolarHBondContact O-CB 3.34Å; R46-K49 PolarHBondContact O-N 3.29Å; R46-Q50 WeakPolarHBondContact O-CG 3.39Å; R46-Q50 PolarHBondContact O-N 3.28Å
47L95.3Very high93.7Very high104 Ų104119.8 Ų119.855%0.54553%0.531SS..Hα-helixtrans-65.1-43.3179-174.562.4000112.3Q43 T44 K49 Q50 N51Q43-L47 WeakPolarHBondContact O-CB 3.25Å; Q43-L47 PolarHBondContact O-N 3.41Å; T44-L47 PolarHBondContact O-N 3.2Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.32Å; L47-Q50 PolarHBondContact O-N 2.94Å; L47-N51 WeakPolarHBondContact O-CB 3.34Å; L47-N51 PolarHBondContact O-N 3.44Å
48K95.9Very high94.2Very high150 Ų150118.6 Ų118.665%0.65253%0.527SS*.Hα-helixtrans-59.8-42.6174.1-76.4-177.8177-174.90111.6T44 R45 N51 L52T44-K48 HydrophobicContact CG2-CD 4.25Å; T44-K48 HydrophobicContact CG2-CG 4.43Å; T44-K48 WeakPolarHBondContact O-CB 3.39Å; T44-K48 WeakPolarHBondContact O-CG 3.38Å; T44-K48 PolarHBondContact O-N 2.87Å; R45-K48 PolarHBondContact O-N 3.28Å; K48-N51 PolarHBondContact O-N 3.39Å; K48-L52 WeakPolarHBondContact O-CB 3.27Å; K48-L52 PolarHBondContact O-N 3.47Å
49K96.3Very high95Very high165 Ų165115 Ų11572%0.71751%0.512SS*.Hα-helixtrans-61.6-45.6176-171.2178.8-178.4179.20111.5R45 R46 L47 E53R45-K49 WeakPolarHBondContact O-CB 3.49Å; R45-K49 PolarHBondContact O-N 2.86Å; R46-K49 WeakPolarHBondContact O-CB 3.34Å; R46-K49 PolarHBondContact O-N 3.29Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.32Å; K49-E53 PolarHBondContact O-N 2.95Å; K49-E53 VanDerWaalsContact O-N 3.11Å
50Q97Very high95.4Very high102 Ų102112.5 Ų112.548%0.47750%0.502SS..Hα-helixtrans-63.2-44.7175.5-72.8-177.9-2.600112.5R46 L47 E53 R54R46-Q50 WeakPolarHBondContact O-CG 3.39Å; R46-Q50 PolarHBondContact O-N 3.28Å; L47-Q50 PolarHBondContact O-N 2.94Å; Q50-E53 PolarHBondContact O-N 3.48Å; Q50-R54 WeakPolarHBondContact O-CG 3.02Å; Q50-R54 PolarHBondContact O-N 2.95Å
51N97.4Very high95.7Very high76 Ų76108.8 Ų108.841%0.40650%0.496SS..Hα-helixtrans-62.6-44.4178.8-176.8-39.1000111.4L47 K48 E53 R54 R55L47-N51 WeakPolarHBondContact O-CB 3.34Å; L47-N51 PolarHBondContact O-N 3.44Å; K48-N51 PolarHBondContact O-N 3.39Å; N51-E53 VanDerWaalsContact C-N 3.29Å; N51-E53 PolarHBondContact O-N 3.38Å; N51-R54 PolarHBondContact O-N 3.49Å; N51-R55 PolarHBondContact O-N 2.86Å; N51-R55 PolarHBondContact OD1-NE 3.17Å
52L96.4Very high96.1Very high107 Ų107109.6 Ų109.656%0.5651%0.507SS*.Hα-helixtrans-57.1-43.8174.6-176.365.7000111.6K48 R55 R56K48-L52 WeakPolarHBondContact O-CB 3.27Å; K48-L52 PolarHBondContact O-N 3.47Å; L52-R55 PolarHBondContact O-N 2.91Å; L52-R56 PolarHBondContact O-N 2.89Å
53E97.6Very high96.3Very high56 Ų56112.6 Ų112.626%0.26252%0.517SS..Hα-helixtrans-66.3-40.7176.8177.957.5-164.500112.6K49 Q50 N51 R55 R56 R57K49-E53 PolarHBondContact O-N 2.95Å; K49-E53 VanDerWaalsContact O-N 3.11Å; Q50-E53 PolarHBondContact O-N 3.48Å; N51-E53 VanDerWaalsContact C-N 3.29Å; N51-E53 PolarHBondContact O-N 3.38Å; E53-R55 VanDerWaalsContact C-N 3.33Å; E53-R55 PolarHBondContact O-N 3.44Å; E53-R56 WeakPolarHBondContact O-CB 3.38Å; E53-R56 PolarHBondContact O-N 2.99Å; E53-R56 IonicContact OE1-CZ 3.63Å; E53-R56 IonicContact OE1-NE 3.57Å; E53-R56 IonicContact OE1-NH2 2.82Å; E53-R56 PolarHBondContact OE1-NH2 3.45Å; E53-R56 IonicContact OE2-CZ 3.46Å; E53-R56 IonicContact OE2-NE 2.76Å; E53-R56 PolarHBondContact OE2-NE 3.13Å; E53-R56 IonicContact OE2-NH2 3.33Å; E53-R56 PolarHBondContact OE2-NH2 3.37Å; E53-R57 WeakPolarHBondContact O-CG 3.28Å; E53-R57 PolarHBondContact O-N 3.17Å; E53-R57 IonicContact OE1-CZ 3.74Å; E53-R57 IonicContact OE1-NE 2.91Å; E53-R57 PolarHBondContact OE1-NE 3.4Å; E53-R57 IonicContact OE1-NH2 3.68Å
54R97.9Very high96.3Very high147 Ų147111.5 Ų111.556%0.55551%0.512SS*.Hα-helixtrans-58.8-45.6173.9-71.2-177.3-168113.15.1111.2Q50 N51 R56 R57 A58Q50-R54 WeakPolarHBondContact O-CG 3.02Å; Q50-R54 PolarHBondContact O-N 2.95Å; N51-R54 PolarHBondContact O-N 3.49Å; R54-R56 PolarHBondContact O-N 3.37Å; R54-R57 PolarHBondContact O-N 2.93Å; R54-A58 PolarHBondContact O-N 2.98Å
55R98Very high96.2Very high151 Ų151110.5 Ų110.557%0.5750%0.504SS*.Hα-helixtrans-61.9-42.1175.5-73.8-173-72.1156.21.9112.2N51 L52 E53 R57 A58 C59N51-R55 PolarHBondContact O-N 2.86Å; N51-R55 PolarHBondContact OD1-NE 3.17Å; L52-R55 PolarHBondContact O-N 2.91Å; E53-R55 VanDerWaalsContact C-N 3.33Å; E53-R55 PolarHBondContact O-N 3.44Å; R55-R57 PolarHBondContact O-N 3.26Å; R55-A58 PolarHBondContact O-N 2.93Å; R55-C59 WeakPolarHBondContact O-CB 3.47Å; R55-C59 PolarHBondContact O-N 3.22Å
56R98.5Very high96.2Very high137 Ų137104.4 Ų104.452%0.51749%0.493SS..Hα-helixtrans-58.5-47174.7-169.3-17574.3103.74.2111.2L52 E53 R54 C59 I60L52-R56 PolarHBondContact O-N 2.89Å; E53-R56 WeakPolarHBondContact O-CB 3.38Å; E53-R56 PolarHBondContact O-N 2.99Å; E53-R56 IonicContact OE1-CZ 3.63Å; E53-R56 IonicContact OE1-NE 3.57Å; E53-R56 IonicContact OE1-NH2 2.82Å; E53-R56 PolarHBondContact OE1-NH2 3.45Å; E53-R56 IonicContact OE2-CZ 3.46Å; E53-R56 IonicContact OE2-NE 2.76Å; E53-R56 PolarHBondContact OE2-NE 3.13Å; E53-R56 IonicContact OE2-NH2 3.33Å; E53-R56 PolarHBondContact OE2-NH2 3.37Å; R54-R56 PolarHBondContact O-N 3.37Å; R56-C59 PolarHBondContact O-N 3.28Å; R56-I60 HydrophobicContact CG-CD1 4.14Å; R56-I60 WeakPolarHBondContact O-CG1 3.37Å; R56-I60 PolarHBondContact O-N 3.31Å
57R98Very high96.1Very high164 Ų164100.3 Ų100.362%0.61948%0.484SS*.Hα-helixtrans-63.7-44179.5-70.9179-176.4-161.5-1.7112.8E53 R54 R55 I60 S61E53-R57 WeakPolarHBondContact O-CG 3.28Å; E53-R57 PolarHBondContact O-N 3.17Å; E53-R57 IonicContact OE1-CZ 3.74Å; E53-R57 IonicContact OE1-NE 2.91Å; E53-R57 PolarHBondContact OE1-NE 3.4Å; E53-R57 IonicContact OE1-NH2 3.68Å; R54-R57 PolarHBondContact O-N 2.93Å; R55-R57 PolarHBondContact O-N 3.26Å; R57-I60 PolarHBondContact O-N 3.08Å; R57-S61 PolarHBondContact O-N 3.28Å
58A98Very high95.9Very high50 Ų5096.1 Ų96.141%0.41346%0.461SS..Hα-helixtrans-57.7-49.6174.500000110.8R54 R55 I60 S61 D62R54-A58 PolarHBondContact O-N 2.98Å; R55-A58 PolarHBondContact O-N 2.93Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.49Å; A58-S61 WeakPolarHBondContact O-CB 3.37Å; A58-S61 PolarHBondContact O-N 2.89Å; A58-D62 VanDerWaalsContact O-CG 3.22Å; A58-D62 PolarHBondContact O-N 3.23Å
59C98.1Very high95.6Very high53 Ų5392.6 Ų92.636%0.35845%0.45SS..Hα-helixtrans-59-40.2177.8-178.40000113.2R55 R56 K63R55-C59 WeakPolarHBondContact O-CB 3.47Å; R55-C59 PolarHBondContact O-N 3.22Å; R56-C59 PolarHBondContact O-N 3.28Å; C59-K63 WeakPolarHBondContact O-CG 3.27Å; C59-K63 PolarHBondContact O-N 3.09Å; C59-K63 VanDerWaalsContact O-N 3.13Å
60I97Very high95.4Very high82 Ų8288.9 Ų88.942%0.42144%0.437SS..Hα-helixtrans-62.7-46.9175-69165.8000110.2R56 R57 A58 D62 K63 M64R56-I60 HydrophobicContact CG-CD1 4.14Å; R56-I60 WeakPolarHBondContact O-CG1 3.37Å; R56-I60 PolarHBondContact O-N 3.31Å; R57-I60 PolarHBondContact O-N 3.08Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.49Å; I60-D62 PolarHBondContact O-N 2.97Å; I60-K63 PolarHBondContact O-N 3.14Å; I60-M64 HydrophobicContact CG2-CG 4.39Å; I60-M64 WeakPolarHBondContact O-CG 3.49Å; I60-M64 PolarHBondContact O-N 3.07Å
61S95Very high95.1Very high60 Ų6084.2 Ų84.242%0.4242%0.416SS..Hα-helixtrans-60.2-44.6178.6-177.60000112R57 A58 K63 M64 N65R57-S61 PolarHBondContact O-N 3.28Å; A58-S61 WeakPolarHBondContact O-CB 3.37Å; A58-S61 PolarHBondContact O-N 2.89Å; S61-K63 VanDerWaalsContact C-N 3.35Å; S61-K63 PolarHBondContact O-N 3.24Å; S61-M64 PolarHBondContact O-N 2.99Å; S61-N65 WeakPolarHBondContact O-CB 3.46Å; S61-N65 PolarHBondContact O-N 3.38Å; S61-N65 PolarHBondContact O-ND2 3.34Å
62D96.1Very high94.7Very high104 Ų10480.8 Ų80.856%0.55640%0.398SS*.Hα-helixtrans-60.9-44.4179.5-63.8-24.3000111.5A58 I60 N65 A66A58-D62 VanDerWaalsContact O-CG 3.22Å; A58-D62 PolarHBondContact O-N 3.23Å; I60-D62 PolarHBondContact O-N 2.97Å; D62-N65 PolarHBondContact O-N 3.07Å; D62-A66 WeakPolarHBondContact O-CB 3.29Å; D62-A66 PolarHBondContact O-N 3.18Å
63K95.9Very high94.3Very high136 Ų13681.1 Ų81.159%0.59140%0.4SS*.Hα-helixtrans-63.9-42.9176-72.5177.9178-177.20112.2C59 I60 S61 N65 A66 L67C59-K63 WeakPolarHBondContact O-CG 3.27Å; C59-K63 PolarHBondContact O-N 3.09Å; C59-K63 VanDerWaalsContact O-N 3.13Å; I60-K63 PolarHBondContact O-N 3.14Å; S61-K63 VanDerWaalsContact C-N 3.35Å; S61-K63 PolarHBondContact O-N 3.24Å; K63-N65 VanDerWaalsContact C-N 3.32Å; K63-N65 PolarHBondContact O-N 2.9Å; K63-A66 PolarHBondContact O-N 2.94Å; K63-L67 WeakPolarHBondContact O-CG 3.41Å; K63-L67 PolarHBondContact O-N 2.81Å
64M93.5Very high93.9Very high71 Ų7183.5 Ų83.535%0.3541%0.414SS..Hα-helixtrans-63.2-39.7177-72.1-55.1-60.100111.9I60 S61 H68 L91I60-M64 HydrophobicContact CG2-CG 4.39Å; I60-M64 WeakPolarHBondContact O-CG 3.49Å; I60-M64 PolarHBondContact O-N 3.07Å; S61-M64 PolarHBondContact O-N 2.99Å; M64-H68 WeakPolarHBondContact O-CB 3.27Å; M64-H68 PolarHBondContact O-N 3.16Å; M64-L91 HydrophobicContact CE-CD1 3.46Å; M64-L91 VanDerWaalsContact CE-CD1 3.46Å
65N91.7Very high93.3Very high49 Ų4980.3 Ų80.326%0.26241%0.407SS..Hα-helixtrans-66.7-44176-69.4-19.5000111.8S61 D62 K63 L67 H68 N69 K87S61-N65 WeakPolarHBondContact O-CB 3.46Å; S61-N65 PolarHBondContact O-N 3.38Å; S61-N65 PolarHBondContact O-ND2 3.34Å; D62-N65 PolarHBondContact O-N 3.07Å; K63-N65 VanDerWaalsContact C-N 3.32Å; K63-N65 PolarHBondContact O-N 2.9Å; N65-L67 VanDerWaalsContact C-N 3.35Å; N65-L67 PolarHBondContact O-N 3.28Å; N65-H68 PolarHBondContact O-N 2.89Å; N65-N69 VanDerWaalsContact O-CG 3.3Å; N65-N69 PolarHBondContact O-N 3.46Å; N65-K87 PolarHBondContact OD1-NZ 3.24Å
66A92.7Very high92.6Very high54 Ų5476.3 Ų76.345%0.44641%0.413SS..Hα-helixtrans-60-44.3176.300000111.8D62 K63 N69 L70D62-A66 WeakPolarHBondContact O-CB 3.29Å; D62-A66 PolarHBondContact O-N 3.18Å; K63-A66 PolarHBondContact O-N 2.94Å; A66-N69 PolarHBondContact O-N 3.07Å; A66-L70 WeakPolarHBondContact O-CB 3.49Å; A66-L70 PolarHBondContact O-N 2.9Å
67L92.5Very high91.8Very high89 Ų8973.9 Ų73.947%0.46641%0.406SS..Hα-helixtrans-63.3-42.5175.6-73173.7000112.3K63 N65 L70 A71 L91K63-L67 WeakPolarHBondContact O-CG 3.41Å; K63-L67 PolarHBondContact O-N 2.81Å; N65-L67 VanDerWaalsContact C-N 3.35Å; N65-L67 PolarHBondContact O-N 3.28Å; L67-L70 PolarHBondContact O-N 3.49Å; L67-A71 WeakPolarHBondContact O-CB 3.38Å; L67-A71 PolarHBondContact O-N 2.95Å; L67-L91 HydrophobicContact CB-CD2 4.11Å
68H89.9Confident90.8Very high15 Ų1570.8 Ų70.87%0.06940%0.402CS..Hα-helixtrans-63.3-44.8177172.378.4000112M64 N65 L70 A71 M72 K87M64-H68 WeakPolarHBondContact O-CB 3.27Å; M64-H68 PolarHBondContact O-N 3.16Å; N65-H68 PolarHBondContact O-N 2.89Å; H68-L70 VanDerWaalsContact C-N 3.34Å; H68-L70 PolarHBondContact O-N 3.41Å; H68-A71 WeakPolarHBondContact O-CB 3.44Å; H68-A71 PolarHBondContact O-N 3.31Å; H68-M72 WeakPolarHBondContact O-CG 3.43Å; H68-M72 PolarHBondContact O-N 2.98Å; H68-K87 HydrophobicContact CB-CD 4.42Å; H68-K87 HydrophobicContact CB-CG 4.42Å
69N90.4Very high89.7Confident76 Ų7670.8 Ų70.841%0.40640%0.397SS..Hα-helixtrans-64.3-40.1176.7-68.7-12.6000111.5N65 A66 M72 N73N65-N69 VanDerWaalsContact O-CG 3.3Å; N65-N69 PolarHBondContact O-N 3.46Å; A66-N69 PolarHBondContact O-N 3.07Å; N69-M72 PolarHBondContact O-N 3.24Å; N69-N73 WeakPolarHBondContact O-CB 3.37Å; N69-N73 PolarHBondContact O-N 2.66Å; N69-N73 PolarHBondContact O-ND2 3.36Å
70L92.6Very high88.6Confident87 Ų8773 Ų7346%0.45541%0.409SS..Hα-helixtrans-60.6-45.7173.4178.662.4000111.3A66 L67 H68 M72 N73 L74A66-L70 WeakPolarHBondContact O-CB 3.49Å; A66-L70 PolarHBondContact O-N 2.9Å; L67-L70 PolarHBondContact O-N 3.49Å; H68-L70 VanDerWaalsContact C-N 3.34Å; H68-L70 PolarHBondContact O-N 3.41Å; L70-M72 PolarHBondContact O-N 2.9Å; L70-N73 PolarHBondContact O-N 3.48Å; L70-L74 HydrophobicContact CD1-CD1 4.29Å; L70-L74 HydrophobicContact CD1-CG 4.42Å; L70-L74 HydrophobicContact CG-CD1 4.07Å; L70-L74 VanDerWaalsContact O-CG 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 3.39Å
71A90.7Very high87.2Confident4 Ų475.7 Ų75.73%0.03342%0.42CS..Hα-helixtrans-60.9-43.3176.600000112.2L67 H68 L74 I75 I90 L91L67-A71 WeakPolarHBondContact O-CB 3.38Å; L67-A71 PolarHBondContact O-N 2.95Å; H68-A71 WeakPolarHBondContact O-CB 3.44Å; H68-A71 PolarHBondContact O-N 3.31Å; A71-L74 PolarHBondContact O-N 2.94Å; A71-I75 VanDerWaalsContact O-CG1 3.29Å; A71-I75 WeakPolarHBondContact O-CG1 3.49Å; A71-I75 PolarHBondContact O-N 2.9Å; A71-I90 HydrophobicContact CB-CG2 3.81Å; A71-L91 HydrophobicContact CB-CD2 4.23Å
72M88.2Confident85.9Confident4 Ų475.9 Ų75.92%0.0241%0.412CS..Hα-helixtrans-59.3-46.4174.7-75.5-64.7118.400112H68 N69 L70 L74 I75 G76 K77 P79 I90H68-M72 WeakPolarHBondContact O-CG 3.43Å; H68-M72 PolarHBondContact O-N 2.98Å; N69-M72 PolarHBondContact O-N 3.24Å; L70-M72 PolarHBondContact O-N 2.9Å; M72-L74 VanDerWaalsContact C-N 3.3Å; M72-L74 PolarHBondContact O-N 3.44Å; M72-I75 HydrophobicContact CE-CD1 4.31Å; M72-I75 PolarHBondContact O-N 3.27Å; M72-G76 PolarHBondContact O-N 3Å; M72-K77 CarbonylContact C-O 3.6Å; M72-K77 WeakPolarHBondContact CB-O 3.37Å; M72-K77 PolarHBondContact O-N 3.33Å; M72-K77 HydrophobicContact SD-CB 4.34Å; M72-P79 HydrophobicContact CG-CB 4.1Å; M72-I90 HydrophobicContact CE-CB 4.07Å; M72-I90 HydrophobicContact CE-CD1 3.36Å; M72-I90 HydrophobicContact CE-CG1 3.56Å; M72-I90 HydrophobicContact CE-CG2 3.37Å
73N88.4Confident84.5Confident114 Ų11478.7 Ų78.761%0.6142%0.422SS*.Hα-helixtrans-60.6-38.9175.9-69.2-16.2000112.2N69 L70 G76N69-N73 WeakPolarHBondContact O-CB 3.37Å; N69-N73 PolarHBondContact O-N 2.66Å; N69-N73 PolarHBondContact O-ND2 3.36Å; L70-N73 PolarHBondContact O-N 3.48Å; N73-G76 PolarHBondContact O-N 3.25Å
74L88.5Confident83.2Confident107 Ų10782.1 Ų82.156%0.5644%0.437SS*.Hα-helixtrans-70.3-34.7178.5-70.6169.2000112.8L70 A71 M72 G76 F98L70-L74 HydrophobicContact CD1-CD1 4.29Å; L70-L74 HydrophobicContact CD1-CG 4.42Å; L70-L74 HydrophobicContact CG-CD1 4.07Å; L70-L74 VanDerWaalsContact O-CG 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 3.39Å; A71-L74 PolarHBondContact O-N 2.94Å; M72-L74 VanDerWaalsContact C-N 3.3Å; M72-L74 PolarHBondContact O-N 3.44Å; L74-G76 VanDerWaalsContact C-N 3.28Å; L74-F98 HydrophobicContact CD1-CE2 4.49Å; L74-F98 HydrophobicContact CD1-CZ 3.94Å
75I85.7Confident82.3Confident79 Ų7982 Ų8241%0.40544%0.436SS..Hα-helixtrans-77.1-21.2174.5-59.2163.1000110.8A71 M72 K77 I90A71-I75 VanDerWaalsContact O-CG1 3.29Å; A71-I75 WeakPolarHBondContact O-CG1 3.49Å; A71-I75 PolarHBondContact O-N 2.9Å; M72-I75 HydrophobicContact CE-CD1 4.31Å; M72-I75 PolarHBondContact O-N 3.27Å; I75-K77 HydrophobicContact CG2-CB 4.4Å; I75-K77 HydrophobicContact CG2-CD 3.62Å; I75-K77 HydrophobicContact CG2-CG 3.93Å; I75-I90 HydrophobicContact CD1-CG2 4.26Å
76G83.4Confident81.9Confident67 Ų6785.9 Ų85.969%0.69145%0.453SS*.THydrogen-bonded Turntrans76.733-17600000112.8M72 N73 L74M72-G76 PolarHBondContact O-N 3Å; N73-G76 PolarHBondContact O-N 3.25Å; L74-G76 VanDerWaalsContact C-N 3.28Å
77K81.7Confident81.6Confident87 Ų8787.6 Ų87.638%0.37845%0.451SS..  trans-121146.6-178.5-75177.6170.1-1630110.9M72 I75 Y82M72-K77 CarbonylContact C-O 3.6Å; M72-K77 WeakPolarHBondContact CB-O 3.37Å; M72-K77 PolarHBondContact O-N 3.33Å; M72-K77 HydrophobicContact SD-CB 4.34Å; I75-K77 HydrophobicContact CG2-CB 4.4Å; I75-K77 HydrophobicContact CG2-CD 3.62Å; I75-K77 HydrophobicContact CG2-CG 3.93Å; K77-Y82 HydrophobicContact CB-CD2 4.1Å; K77-Y82 HydrophobicContact CB-CE2 3.74Å; K77-Y82 HydrophobicContact CD-CD2 4.37Å; K77-Y82 HydrophobicContact CD-CE1 4.21Å; K77-Y82 HydrophobicContact CD-CE2 3.55Å; K77-Y82 VanDerWaalsContact CD-CZ 3.45Å; K77-Y82 WeakPolarHBondContact CD-OH 3.32Å; K77-Y82 WeakPolarHBondContact CE-OH 3.35Å; K77-Y82 HydrophobicContact CG-CE2 3.89Å; K77-Y82 PolarHBondContact NZ-OH 2.93Å
78D77.8Confident81.4Confident98 Ų9886.9 Ų86.952%0.52445%0.45SS..  trans-80.3130.7-180-73.1-34.7000111.6T80 E81 Y82D78-T80 PolarHBondContact O-N 3.37Å; D78-T80 VanDerWaalsContact O-N 3.14Å; D78-E81 HydrophobicContact CB-CG 4.2Å; D78-E81 PolarHBondContact O-N 3.28Å; D78-Y82 WeakPolarHBondContact O-CD2 3.38Å
79P74.6Confident81.3Confident50 Ų5089.6 Ų89.633%0.32547%0.465SS..THydrogen-bonded Turntrans-61.5-25.8-179.423.3-32.4000112.6M72 E81 Y82M72-P79 HydrophobicContact CG-CB 4.1Å; P79-E81 VanDerWaalsContact C-N 3.29Å; P79-E81 PolarHBondContact O-N 3.38Å; P79-Y82 PolarHBondContact O-N 2.76Å
80T74.3Confident81.3Confident99 Ų9986.2 Ų86.261%0.60745%0.447SS*.THydrogen-bonded Turntrans-72.9-18.3178.849.80000113.3D78 H83D78-T80 PolarHBondContact O-N 3.37Å; D78-T80 VanDerWaalsContact O-N 3.14Å; T80-H83 PolarHBondContact O-CE1 2.9Å; T80-H83 PolarHBondContact O-ND1 3.07Å
81E68.1Low81.2Confident140 Ų14084 Ų8465%0.65444%0.435SS*.THydrogen-bonded Turntrans-89.8-19.5178-63.4-166.9156.500112.3D78 P79D78-E81 HydrophobicContact CB-CG 4.2Å; D78-E81 PolarHBondContact O-N 3.28Å; P79-E81 VanDerWaalsContact C-N 3.29Å; P79-E81 PolarHBondContact O-N 3.38Å
82Y67Low81.2Confident64 Ų6487.9 Ų87.925%0.25146%0.455SS..  trans-106.838.8-170.6-74.3-86.4000114.7K77 D78 P79 K84 I85K77-Y82 HydrophobicContact CB-CD2 4.1Å; K77-Y82 HydrophobicContact CB-CE2 3.74Å; K77-Y82 HydrophobicContact CD-CD2 4.37Å; K77-Y82 HydrophobicContact CD-CE1 4.21Å; K77-Y82 HydrophobicContact CD-CE2 3.55Å; K77-Y82 VanDerWaalsContact CD-CZ 3.45Å; K77-Y82 WeakPolarHBondContact CD-OH 3.32Å; K77-Y82 WeakPolarHBondContact CE-OH 3.35Å; K77-Y82 HydrophobicContact CG-CE2 3.89Å; K77-Y82 PolarHBondContact NZ-OH 2.93Å; D78-Y82 WeakPolarHBondContact O-CD2 3.38Å; P79-Y82 PolarHBondContact O-N 2.76Å; Y82-K84 PolarHBondContact O-N 2.78Å; Y82-K84 VanDerWaalsContact O-N 3.08Å; Y82-I85 HydrophobicContact CD1-CD1 3.59Å; Y82-I85 HydrophobicContact CD1-CG1 4.18Å; Y82-I85 HydrophobicContact CE1-CD1 4.09Å; Y82-I85 PolarHBondContact O-N 3.08Å
83H67.1Low81.3Confident162 Ų16292.1 Ų92.175%0.7548%0.477SS*.THydrogen-bonded Turntrans-60.4-19.3176.4-69.894.8000114.6T80T80-H83 PolarHBondContact O-CE1 2.9Å; T80-H83 PolarHBondContact O-ND1 3.07Å
84K68.7Low81.5Confident209 Ų20987.4 Ų87.491%0.90945%0.453SS*.THydrogen-bonded Turntrans-86.1-18.6-176.7-68.2-176.2180178.20114.3Y82Y82-K84 PolarHBondContact O-N 2.78Å; Y82-K84 VanDerWaalsContact O-N 3.08Å
85I74.1Confident81.7Confident67 Ų6788.3 Ų88.334%0.34445%0.454SS..SBendtrans-97.2129.9-177.6-54.2-175.8000108.4Y82 D89 I90Y82-I85 HydrophobicContact CD1-CD1 3.59Å; Y82-I85 HydrophobicContact CD1-CG1 4.18Å; Y82-I85 HydrophobicContact CE1-CD1 4.09Å; Y82-I85 PolarHBondContact O-N 3.08Å; I85-D89 HydrophobicContact CG2-CB 3.74Å; I85-I90 HydrophobicContact CB-CD1 4.01Å; I85-I90 HydrophobicContact CB-CG1 4.32Å; I85-I90 HydrophobicContact CG2-CD1 3.84Å; I85-I90 HydrophobicContact CG2-CG1 3.68Å
86E83.7Confident82Confident131 Ų13187.5 Ų87.561%0.61246%0.455SS*.  trans-65.4142.4178.3-62.2-168.9173.200110.3T88 D89 I90E86-T88 PolarHBondContact O-N 3.22Å; E86-T88 VanDerWaalsContact O-N 3.09Å; E86-D89 WeakPolarHBondContact O-CB 3.24Å; E86-D89 PolarHBondContact O-N 3.11Å; E86-I90 PolarHBondContact O-N 3.44Å
87K86.6Confident82.5Confident91 Ų9187.8 Ų87.840%0.39644%0.444SS..Hα-helixtrans-52.2-36.9177.1-68.4-177.9176.2166.30111.5N65 H68 L91N65-K87 PolarHBondContact OD1-NZ 3.24Å; H68-K87 HydrophobicContact CB-CD 4.42Å; H68-K87 HydrophobicContact CB-CG 4.42Å; K87-L91 VanDerWaalsContact O-CG 3.27Å; K87-L91 WeakPolarHBondContact O-CG 3.24Å; K87-L91 PolarHBondContact O-N 3.36Å; K87-L91 VanDerWaalsContact O-N 3.16Å
88T87.9Confident83Confident74 Ų7488.8 Ų88.845%0.45445%0.448SS..Hα-helixtrans-62.8-41.7177.5-46.70000112.1E86 L91 N92E86-T88 PolarHBondContact O-N 3.22Å; E86-T88 VanDerWaalsContact O-N 3.09Å; T88-L91 PolarHBondContact O-N 3.5Å; T88-N92 WeakPolarHBondContact O-CB 3.06Å; T88-N92 PolarHBondContact O-N 3.05Å; T88-N92 PolarHBondContact O-ND2 3.48Å
89D88.9Confident83.7Confident71 Ų7191 Ų9138%0.3845%0.453SS..Hα-helixtrans-65.2-45.2-179.5-65.7-27.1000111.5I85 E86 L91 N92 I93I85-D89 HydrophobicContact CG2-CB 3.74Å; E86-D89 WeakPolarHBondContact O-CB 3.24Å; E86-D89 PolarHBondContact O-N 3.11Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.36Å; D89-N92 WeakPolarHBondContact O-CB 3.43Å; D89-N92 PolarHBondContact O-N 3.25Å; D89-I93 VanDerWaalsContact O-CG1 3.25Å; D89-I93 WeakPolarHBondContact O-CG1 3.44Å; D89-I93 PolarHBondContact O-N 3.47Å
90I89.6Confident84.6Confident5 Ų593.5 Ų93.53%0.02646%0.464CS..Hα-helixtrans-58.3-46.6176.1-72.2147.2000110.6A71 M72 I75 I85 E86 N92 I93 C94A71-I90 HydrophobicContact CB-CG2 3.81Å; M72-I90 HydrophobicContact CE-CB 4.07Å; M72-I90 HydrophobicContact CE-CD1 3.36Å; M72-I90 HydrophobicContact CE-CG1 3.56Å; M72-I90 HydrophobicContact CE-CG2 3.37Å; I75-I90 HydrophobicContact CD1-CG2 4.26Å; I85-I90 HydrophobicContact CB-CD1 4.01Å; I85-I90 HydrophobicContact CB-CG1 4.32Å; I85-I90 HydrophobicContact CG2-CD1 3.84Å; I85-I90 HydrophobicContact CG2-CG1 3.68Å; E86-I90 PolarHBondContact O-N 3.44Å; I90-N92 VanDerWaalsContact C-N 3.33Å; I90-N92 PolarHBondContact O-N 2.9Å; I90-I93 PolarHBondContact O-N 2.98Å; I90-C94 PolarHBondContact O-N 3.07Å; I90-C94 PolarHBondContact O-SG 2.91Å; I90-C94 VanDerWaalsContact O-SG 3.39Å
91L90.9Very high85.4Confident40 Ų4092.2 Ų92.221%0.20946%0.456CS..Hα-helixtrans-65-38.4178.9-67.3173.8000111.6M64 L67 A71 K87 T88 D89 C94 H95M64-L91 HydrophobicContact CE-CD1 3.46Å; M64-L91 VanDerWaalsContact CE-CD1 3.46Å; L67-L91 HydrophobicContact CB-CD2 4.11Å; A71-L91 HydrophobicContact CB-CD2 4.23Å; K87-L91 VanDerWaalsContact O-CG 3.27Å; K87-L91 WeakPolarHBondContact O-CG 3.24Å; K87-L91 PolarHBondContact O-N 3.36Å; K87-L91 VanDerWaalsContact O-N 3.16Å; T88-L91 PolarHBondContact O-N 3.5Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.36Å; L91-C94 PolarHBondContact O-N 2.99Å; L91-H95 VanDerWaalsContact O-CB 3.27Å; L91-H95 WeakPolarHBondContact O-CB 3.38Å; L91-H95 PolarHBondContact O-N 3.36Å
92N91.3Very high86.5Confident86 Ų8689.5 Ų89.546%0.4645%0.449SS..Hα-helixtrans-64.2-40.5175.1-74.6-24.1000112T88 D89 I90 H95 S96T88-N92 WeakPolarHBondContact O-CB 3.06Å; T88-N92 PolarHBondContact O-N 3.05Å; T88-N92 PolarHBondContact O-ND2 3.48Å; D89-N92 WeakPolarHBondContact O-CB 3.43Å; D89-N92 PolarHBondContact O-N 3.25Å; I90-N92 VanDerWaalsContact C-N 3.33Å; I90-N92 PolarHBondContact O-N 2.9Å; N92-H95 PolarHBondContact O-N 3.47Å; N92-S96 WeakPolarHBondContact O-CB 3.28Å; N92-S96 PolarHBondContact O-N 3.35Å; N92-S96 PolarHBondContact O-OG 2.82Å
93I90.3Very high87.7Confident94 Ų9488.4 Ų88.448%0.48245%0.453SS..Hα-helixtrans-62.9-52.2175.2-68.5162.5000109.6D89 I90 H95 S96 V97D89-I93 VanDerWaalsContact O-CG1 3.25Å; D89-I93 WeakPolarHBondContact O-CG1 3.44Å; D89-I93 PolarHBondContact O-N 3.47Å; I90-I93 PolarHBondContact O-N 2.98Å; I93-H95 VanDerWaalsContact C-N 3.32Å; I93-H95 PolarHBondContact O-N 3.13Å; I93-S96 PolarHBondContact O-N 3.35Å; I93-S96 VanDerWaalsContact O-N 3.13Å; I93-V97 HydrophobicContact CG2-CG2 4.4Å; I93-V97 WeakPolarHBondContact O-CG2 3.3Å; I93-V97 PolarHBondContact O-N 3.05Å
94C92Very high88.9Confident14 Ų1484.6 Ų84.610%0.09544%0.437CS..Hα-helixtrans-56.7-46.3177.4-71.30000111.6I90 L91 S96 V97 F98I90-C94 PolarHBondContact O-N 3.07Å; I90-C94 PolarHBondContact O-SG 2.91Å; I90-C94 VanDerWaalsContact O-SG 3.39Å; L91-C94 PolarHBondContact O-N 2.99Å; C94-S96 VanDerWaalsContact C-N 3.31Å; C94-S96 PolarHBondContact O-N 3.4Å; C94-V97 PolarHBondContact O-N 3.3Å; C94-F98 HydrophobicContact CB-CD2 4.39Å; C94-F98 HydrophobicContact CB-CE2 3.98Å; C94-F98 WeakPolarHBondContact O-CD2 3.44Å; C94-F98 WeakPolarHBondContact O-CG 3.42Å; C94-F98 PolarHBondContact O-N 2.97Å
95H92.1Very high90Very high127 Ų12775.6 Ų75.659%0.58840%0.399SS*.Hα-helixtrans-58.4-43177177.1-99.5000112L91 N92 I93 F98 K99L91-H95 VanDerWaalsContact O-CB 3.27Å; L91-H95 WeakPolarHBondContact O-CB 3.38Å; L91-H95 PolarHBondContact O-N 3.36Å; N92-H95 PolarHBondContact O-N 3.47Å; I93-H95 VanDerWaalsContact C-N 3.32Å; I93-H95 PolarHBondContact O-N 3.13Å; H95-F98 PolarHBondContact O-N 3.08Å; H95-K99 WeakPolarHBondContact O-CB 3.4Å; H95-K99 PolarHBondContact O-N 3.32Å
96S92.7Very high90.7Very high61 Ų6177.9 Ų77.943%0.42741%0.412SS..Hα-helixtrans-66.6-42.4178.6-55.70000112N92 I93 C94 K99 N100N92-S96 WeakPolarHBondContact O-CB 3.28Å; N92-S96 PolarHBondContact O-N 3.35Å; N92-S96 PolarHBondContact O-OG 2.82Å; I93-S96 PolarHBondContact O-N 3.35Å; I93-S96 VanDerWaalsContact O-N 3.13Å; C94-S96 VanDerWaalsContact C-N 3.31Å; C94-S96 PolarHBondContact O-N 3.4Å; S96-K99 PolarHBondContact O-N 2.92Å; S96-N100 PolarHBondContact O-N 3.46Å; S96-N100 VanDerWaalsContact O-N 3.08Å; S96-N100 PolarHBondContact O-ND2 3.33Å
97V92.9Very high91.1Very high74 Ų7478.9 Ų78.945%0.44842%0.417SS..Hα-helixtrans-61.7-49.1175.5171.70000110.7I93 C94 K99 N100 V101I93-V97 HydrophobicContact CG2-CG2 4.4Å; I93-V97 WeakPolarHBondContact O-CG2 3.3Å; I93-V97 PolarHBondContact O-N 3.05Å; C94-V97 PolarHBondContact O-N 3.3Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.3Å; V97-N100 PolarHBondContact O-N 3.21Å; V97-N100 VanDerWaalsContact O-N 3.17Å; V97-V101 HydrophobicContact CG1-CG2 4.34Å; V97-V101 WeakPolarHBondContact O-CG2 3.33Å; V97-V101 PolarHBondContact O-N 3.47Å
98F92Very high91.3Very high107 Ų10779 Ų7947%0.46942%0.419SS..Hα-helixtrans-64.3-38.1179.3-65.6-47.4000112.5L74 C94 H95 N100 V101 V102L74-F98 HydrophobicContact CD1-CE2 4.49Å; L74-F98 HydrophobicContact CD1-CZ 3.94Å; C94-F98 HydrophobicContact CB-CD2 4.39Å; C94-F98 HydrophobicContact CB-CE2 3.98Å; C94-F98 WeakPolarHBondContact O-CD2 3.44Å; C94-F98 WeakPolarHBondContact O-CG 3.42Å; C94-F98 PolarHBondContact O-N 2.97Å; H95-F98 PolarHBondContact O-N 3.08Å; F98-N100 VanDerWaalsContact C-N 3.3Å; F98-N100 PolarHBondContact O-N 2.89Å; F98-V101 PolarHBondContact O-N 3.27Å; F98-V102 WeakPolarHBondContact O-CB 3.2Å; F98-V102 VanDerWaalsContact O-CG2 3.28Å; F98-V102 WeakPolarHBondContact O-CG2 3.37Å; F98-V102 PolarHBondContact O-N 2.91Å
99K93.1Very high91.1Very high146 Ų14679.9 Ų79.964%0.63543%0.426SS*.Hα-helixtrans-58.2-43.9173.6-174.6-179.9176.9-1770111.6H95 S96 V97 V102 A103H95-K99 WeakPolarHBondContact O-CB 3.4Å; H95-K99 PolarHBondContact O-N 3.32Å; S96-K99 PolarHBondContact O-N 2.92Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.3Å; K99-V102 PolarHBondContact O-N 3.15Å; K99-A103 PolarHBondContact O-N 3.42Å
100N93.2Very high91.1Very high101 Ų10181.9 Ų81.954%0.5444%0.437SS..Hα-helixtrans-68.8-41.1177.7-68.8-15.8000112.3S96 V97 F98 V102 A103 I104S96-N100 PolarHBondContact O-N 3.46Å; S96-N100 VanDerWaalsContact O-N 3.08Å; S96-N100 PolarHBondContact O-ND2 3.33Å; V97-N100 PolarHBondContact O-N 3.21Å; V97-N100 VanDerWaalsContact O-N 3.17Å; F98-N100 VanDerWaalsContact C-N 3.3Å; F98-N100 PolarHBondContact O-N 2.89Å; N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 2.97Å; N100-A103 WeakPolarHBondContact O-CB 3.47Å; N100-A103 PolarHBondContact O-N 2.92Å; N100-I104 WeakPolarHBondContact O-CG1 3.4Å; N100-I104 PolarHBondContact O-N 3Å
101V92.3Very high91.1Very high73 Ų7383.4 Ų83.444%0.44244%0.444SS..Hα-helixtrans-59.8-45.1175171.80000110.6V97 F98 A103 I104 V105V97-V101 HydrophobicContact CG1-CG2 4.34Å; V97-V101 WeakPolarHBondContact O-CG2 3.33Å; V97-V101 PolarHBondContact O-N 3.47Å; F98-V101 PolarHBondContact O-N 3.27Å; V101-A103 VanDerWaalsContact C-N 3.32Å; V101-A103 PolarHBondContact O-N 3.48Å; V101-I104 PolarHBondContact O-N 3.02Å; V101-V105 HydrophobicContact CG1-CG2 4.26Å; V101-V105 WeakPolarHBondContact O-CB 3.43Å; V101-V105 WeakPolarHBondContact O-CG2 3.46Å; V101-V105 PolarHBondContact O-N 3.49Å
102V91.4Very high91Very high83 Ų8384.5 Ų84.550%0.50345%0.45SS..Hα-helixtrans-61.3-40.6176.2170.10000111.4F98 K99 N100 V105 N106F98-V102 WeakPolarHBondContact O-CB 3.2Å; F98-V102 VanDerWaalsContact O-CG2 3.28Å; F98-V102 WeakPolarHBondContact O-CG2 3.37Å; F98-V102 PolarHBondContact O-N 2.91Å; K99-V102 PolarHBondContact O-N 3.15Å; N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 2.97Å; V102-V105 PolarHBondContact O-N 3.42Å; V102-N106 WeakPolarHBondContact O-CB 3.42Å; V102-N106 PolarHBondContact O-N 3.44Å; V102-N106 PolarHBondContact O-ND2 3.28Å
103A92.1Very high90.8Very high41 Ų4186.1 Ų86.134%0.33946%0.455SS..Hα-helixtrans-61.2-48.4175.800000112K99 N100 V101 V105 N106 E107K99-A103 PolarHBondContact O-N 3.42Å; N100-A103 WeakPolarHBondContact O-CB 3.47Å; N100-A103 PolarHBondContact O-N 2.92Å; V101-A103 VanDerWaalsContact C-N 3.32Å; V101-A103 PolarHBondContact O-N 3.48Å; A103-V105 VanDerWaalsContact C-N 3.33Å; A103-V105 PolarHBondContact O-N 3.28Å; A103-N106 PolarHBondContact O-N 3.31Å; A103-N106 VanDerWaalsContact O-N 3.16Å; A103-E107 WeakPolarHBondContact O-CG 3.49Å; A103-E107 PolarHBondContact O-N 3.3Å
104I92.3Very high90.7Very high81 Ų8188.5 Ų88.542%0.41546%0.458SS..Hα-helixtrans-60.7-43.5178.4-66.3164.7000111.3N100 V101 N106 E107 Q108 I111N100-I104 WeakPolarHBondContact O-CG1 3.4Å; N100-I104 PolarHBondContact O-N 3Å; V101-I104 PolarHBondContact O-N 3.02Å; I104-N106 VanDerWaalsContact C-N 3.27Å; I104-N106 PolarHBondContact O-N 3.36Å; I104-E107 PolarHBondContact O-N 3.12Å; I104-Q108 PolarHBondContact O-N 3.08Å; I104-Q108 VanDerWaalsContact O-N 3.14Å; I104-I111 HydrophobicContact CG2-CD1 3.93Å
105V91Very high90.5Very high20 Ų2091 Ų9112%0.12147%0.472CS..Hα-helixtrans-62.3-36.5178.61690000111.3V101 V102 A103 I111 L112 V115V101-V105 HydrophobicContact CG1-CG2 4.26Å; V101-V105 WeakPolarHBondContact O-CB 3.43Å; V101-V105 WeakPolarHBondContact O-CG2 3.46Å; V101-V105 PolarHBondContact O-N 3.49Å; V102-V105 PolarHBondContact O-N 3.42Å; A103-V105 VanDerWaalsContact C-N 3.33Å; A103-V105 PolarHBondContact O-N 3.28Å; V105-I111 HydrophobicContact CG2-CG2 3.88Å; V105-L112 HydrophobicContact CG1-CB 4.1Å; V105-L112 HydrophobicContact CG1-CD1 3.45Å; V105-L112 VanDerWaalsContact CG1-CD1 3.45Å; V105-L112 HydrophobicContact CG1-CG 4.39Å; V105-V115 HydrophobicContact CG2-CG2 4.16Å
106N89.1Confident90.2Very high115 Ų11589 Ų8962%0.61546%0.464SS*.Hα-helixtrans-77.1-29.3178.4-69.8-23.8000113.4V102 A103 I104V102-N106 WeakPolarHBondContact O-CB 3.42Å; V102-N106 PolarHBondContact O-N 3.44Å; V102-N106 PolarHBondContact O-ND2 3.28Å; A103-N106 PolarHBondContact O-N 3.31Å; A103-N106 VanDerWaalsContact O-N 3.16Å; I104-N106 VanDerWaalsContact C-N 3.27Å; I104-N106 PolarHBondContact O-N 3.36Å
107E91.9Very high90.1Very high152 Ų15290.2 Ų90.271%0.7146%0.462SS*.Hα-helixtrans-77.1-25.9177.4-73.1175.3-172.500112.8A103 I104A103-E107 WeakPolarHBondContact O-CG 3.49Å; A103-E107 PolarHBondContact O-N 3.3Å; I104-E107 PolarHBondContact O-N 3.12Å
108Q89.8Confident89.9Confident94 Ų9491 Ų9144%0.43946%0.464SS..  trans-119.7102.9-176-62.1-174.432.500111.6I104 D110 I111 L112I104-Q108 PolarHBondContact O-N 3.08Å; I104-Q108 VanDerWaalsContact O-N 3.14Å; Q108-D110 PolarHBondContact O-N 3.41Å; Q108-I111 HydrophobicContact CB-CB 4.16Å; Q108-I111 HydrophobicContact CB-CD1 3.94Å; Q108-I111 HydrophobicContact CB-CG1 3.92Å; Q108-I111 HydrophobicContact CG-CD1 4.32Å; Q108-I111 PolarHBondContact O-N 2.76Å; Q108-L112 PolarHBondContact O-N 3.23Å; Q108-L112 VanDerWaalsContact O-N 3.16Å
109P85.2Confident89.8Confident92 Ų9293.7 Ų93.760%0.59747%0.47SS*.Hα-helixtrans-61.4-33.2-177.824.9-33.7000112.7I111 L112 E113P109-I111 VanDerWaalsContact C-N 3.26Å; P109-I111 PolarHBondContact O-N 2.91Å; P109-L112 WeakPolarHBondContact O-CB 3.39Å; P109-L112 PolarHBondContact O-N 3.41Å; P109-E113 PolarHBondContact O-N 3.28Å
110D89Confident89.5Confident114 Ų11490.4 Ų90.461%0.6146%0.46SS*.Hα-helixtrans-64.6-29.4177.7-57.8-8.9000112.8Q108 R114Q108-D110 PolarHBondContact O-N 3.41Å; D110-R114 WeakPolarHBondContact O-CG 3.4Å; D110-R114 PolarHBondContact O-NE 2.9Å
111I88.6Confident89.2Confident36 Ų3692 Ų9219%0.18546%0.462CS..Hα-helixtrans-78.4-42.8174.4-63.2-176.9000109.3I104 V105 Q108 P109 E113 R114 V115I104-I111 HydrophobicContact CG2-CD1 3.93Å; V105-I111 HydrophobicContact CG2-CG2 3.88Å; Q108-I111 HydrophobicContact CB-CB 4.16Å; Q108-I111 HydrophobicContact CB-CD1 3.94Å; Q108-I111 HydrophobicContact CB-CG1 3.92Å; Q108-I111 HydrophobicContact CG-CD1 4.32Å; Q108-I111 PolarHBondContact O-N 2.76Å; P109-I111 VanDerWaalsContact C-N 3.26Å; P109-I111 PolarHBondContact O-N 2.91Å; I111-E113 VanDerWaalsContact C-N 3.33Å; I111-E113 PolarHBondContact O-N 3.38Å; I111-R114 PolarHBondContact O-N 3.32Å; I111-R114 VanDerWaalsContact O-N 3.17Å; I111-V115 HydrophobicContact CG2-CG2 4.12Å; I111-V115 WeakPolarHBondContact O-CG2 3.42Å; I111-V115 PolarHBondContact O-N 3.22Å
112L88.5Confident88.8Confident63 Ų6395 Ų9533%0.3347%0.469SS..Hα-helixtrans-53.6-50.4177.3-176.466.7000111.3V105 Q108 P109 R114 V115 H116V105-L112 HydrophobicContact CG1-CB 4.1Å; V105-L112 HydrophobicContact CG1-CD1 3.45Å; V105-L112 VanDerWaalsContact CG1-CD1 3.45Å; V105-L112 HydrophobicContact CG1-CG 4.39Å; Q108-L112 PolarHBondContact O-N 3.23Å; Q108-L112 VanDerWaalsContact O-N 3.16Å; P109-L112 WeakPolarHBondContact O-CB 3.39Å; P109-L112 PolarHBondContact O-N 3.41Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 3.17Å; L112-V115 PolarHBondContact O-N 3.38Å; L112-H116 PolarHBondContact O-CD2 2.9Å; L112-H116 VanDerWaalsContact O-CD2 3.22Å; L112-H116 PolarHBondContact O-N 3.08Å
113E87.8Confident88.2Confident121 Ų12193.1 Ų93.157%0.56546%0.46SS*.Hα-helixtrans-58.6-44.7178.6-167.6-174.7165.200111.9P109 I111 V115 H116 Q117P109-E113 PolarHBondContact O-N 3.28Å; I111-E113 VanDerWaalsContact C-N 3.33Å; I111-E113 PolarHBondContact O-N 3.38Å; E113-V115 PolarHBondContact O-N 2.94Å; E113-H116 PolarHBondContact O-N 3.26Å; E113-Q117 WeakPolarHBondContact O-CG 3.46Å; E113-Q117 PolarHBondContact O-N 3.49Å; E113-Q117 PolarHBondContact OE1-NE2 3.45Å
114R88.7Confident87.5Confident143 Ų14396.4 Ų96.454%0.5447%0.472SS..Hα-helixtrans-63.7-38.6177.5-73.8-175.7-72.8172.7-4.9112.7D110 I111 L112 Q117 L118D110-R114 WeakPolarHBondContact O-CG 3.4Å; D110-R114 PolarHBondContact O-NE 2.9Å; I111-R114 PolarHBondContact O-N 3.32Å; I111-R114 VanDerWaalsContact O-N 3.17Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 3.17Å; R114-Q117 PolarHBondContact O-N 3.37Å; R114-L118 WeakPolarHBondContact O-CG 3.23Å; R114-L118 PolarHBondContact O-N 3.41Å
115V87.9Confident86.7Confident66 Ų6699 Ų9940%0.448%0.48SS..Hα-helixtrans-66.6-40.4176.1171.50000110.8V105 I111 L112 E113 L118 R119V105-V115 HydrophobicContact CG2-CG2 4.16Å; I111-V115 HydrophobicContact CG2-CG2 4.12Å; I111-V115 WeakPolarHBondContact O-CG2 3.42Å; I111-V115 PolarHBondContact O-N 3.22Å; L112-V115 PolarHBondContact O-N 3.38Å; E113-V115 PolarHBondContact O-N 2.94Å; V115-L118 PolarHBondContact O-N 3.42Å; V115-R119 WeakPolarHBondContact O-CB 3.46Å; V115-R119 PolarHBondContact O-N 3.36Å
116H86.1Confident85.6Confident87 Ų87103.3 Ų103.340%0.40350%0.502SS..Hα-helixtrans-60.6-49.1172.9-85-81000111.8L112 E113 L118 R119 D120L112-H116 PolarHBondContact O-CD2 2.9Å; L112-H116 VanDerWaalsContact O-CD2 3.22Å; L112-H116 PolarHBondContact O-N 3.08Å; E113-H116 PolarHBondContact O-N 3.26Å; H116-L118 VanDerWaalsContact C-N 3.27Å; H116-L118 PolarHBondContact O-N 3.17Å; H116-R119 WeakPolarHBondContact O-CB 3.4Å; H116-R119 PolarHBondContact O-N 3.38Å; H116-R119 VanDerWaalsContact O-N 3.07Å; H116-D120 VanDerWaalsContact O-CG 3.3Å; H116-D120 PolarHBondContact O-N 3.45Å
117Q89.1Confident84.6Confident85 Ų85103.3 Ų103.340%0.39750%0.501SS..Hα-helixtrans-59-37.9176.7-69.4175.816.100112.7E113 R114 K121E113-Q117 WeakPolarHBondContact O-CG 3.46Å; E113-Q117 PolarHBondContact O-N 3.49Å; E113-Q117 PolarHBondContact OE1-NE2 3.45Å; R114-Q117 PolarHBondContact O-N 3.37Å; Q117-K121 WeakPolarHBondContact O-CD 3.34Å; Q117-K121 VanDerWaalsContact O-CG 3.24Å; Q117-K121 WeakPolarHBondContact O-CG 3.43Å; Q117-K121 PolarHBondContact O-N 3.5Å
118L88.8Confident83.3Confident92 Ų9298.8 Ų98.848%0.48249%0.486SS..Hα-helixtrans-66.2-45.8174.4-75.7171000111.3R114 V115 H116 D120 K121 F122R114-L118 WeakPolarHBondContact O-CG 3.23Å; R114-L118 PolarHBondContact O-N 3.41Å; V115-L118 PolarHBondContact O-N 3.42Å; H116-L118 VanDerWaalsContact C-N 3.27Å; H116-L118 PolarHBondContact O-N 3.17Å; L118-D120 VanDerWaalsContact C-N 3.29Å; L118-D120 PolarHBondContact O-N 3.08Å; L118-K121 PolarHBondContact O-N 3.38Å; L118-F122 WeakPolarHBondContact O-CD2 3.34Å; L118-F122 PolarHBondContact O-N 3.25Å
119R89.8Confident81.9Confident162 Ų16298.9 Ų98.961%0.61149%0.49SS*.Hα-helixtrans-57-42.9177.4-179.3-172.6174.2-165.5-3.8111.8V115 H116 F122 S123V115-R119 WeakPolarHBondContact O-CB 3.46Å; V115-R119 PolarHBondContact O-N 3.36Å; H116-R119 WeakPolarHBondContact O-CB 3.4Å; H116-R119 PolarHBondContact O-N 3.38Å; H116-R119 VanDerWaalsContact O-N 3.07Å; R119-F122 PolarHBondContact O-N 3.11Å; R119-S123 WeakPolarHBondContact O-CB 3.36Å; R119-S123 PolarHBondContact O-N 2.83Å; R119-S123 PolarHBondContact O-OG 3.39Å
120D86.5Confident80.5Confident77 Ų77101 Ų10141%0.41249%0.491SS..Hα-helixtrans-66.3-45.6-179.9-62.8-22.2000110.5H116 L118 F122 S123 D124H116-D120 VanDerWaalsContact O-CG 3.3Å; H116-D120 PolarHBondContact O-N 3.45Å; L118-D120 VanDerWaalsContact C-N 3.29Å; L118-D120 PolarHBondContact O-N 3.08Å; D120-F122 VanDerWaalsContact C-N 3.28Å; D120-F122 PolarHBondContact O-N 3.38Å; D120-S123 PolarHBondContact O-N 3.29Å; D120-S123 VanDerWaalsContact O-N 3.07Å; D120-D124 PolarHBondContact O-N 3.3Å
121K87.7Confident78.9Confident136 Ų13698 Ų9859%0.59148%0.479SS*.Hα-helixtrans-56.7-38.4173.9-71.2169.6-174.7176.50113.1Q117 L118 K125Q117-K121 WeakPolarHBondContact O-CD 3.34Å; Q117-K121 VanDerWaalsContact O-CG 3.24Å; Q117-K121 WeakPolarHBondContact O-CG 3.43Å; Q117-K121 PolarHBondContact O-N 3.5Å; L118-K121 PolarHBondContact O-N 3.38Å; K121-K125 PolarHBondContact O-N 2.96Å
122F83.2Confident77.2Confident135 Ų135101.3 Ų101.359%0.59250%0.497SS*.Hα-helixtrans-73.5-38.1176.1-77.7-66.9000112.4L118 R119 D120 K125 L126L118-F122 WeakPolarHBondContact O-CD2 3.34Å; L118-F122 PolarHBondContact O-N 3.25Å; R119-F122 PolarHBondContact O-N 3.11Å; D120-F122 VanDerWaalsContact C-N 3.28Å; D120-F122 PolarHBondContact O-N 3.38Å; F122-K125 PolarHBondContact O-N 3.15Å; F122-L126 WeakPolarHBondContact O-CG 3.42Å; F122-L126 PolarHBondContact O-N 2.9Å; F122-L126 VanDerWaalsContact O-N 3.08Å
123S79.9Confident75.2Confident44 Ų44102.5 Ų102.531%0.30852%0.516SS..Hα-helixtrans-64.8-43.8179.2-56.80000111.1R119 D120 K125 L126 I127R119-S123 WeakPolarHBondContact O-CB 3.36Å; R119-S123 PolarHBondContact O-N 2.83Å; R119-S123 PolarHBondContact O-OG 3.39Å; D120-S123 PolarHBondContact O-N 3.29Å; D120-S123 VanDerWaalsContact O-N 3.07Å; S123-K125 VanDerWaalsContact C-N 3.31Å; S123-K125 PolarHBondContact O-N 3.34Å; S123-L126 PolarHBondContact O-N 3.36Å; S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 2.92Å
124D75.9Confident73.4Confident110 Ų110101.7 Ų101.759%0.58852%0.524SS*.Hα-helixtrans-62.2-39.3176.7-69.5-20.6000112D120 I127 S128D120-D124 PolarHBondContact O-N 3.3Å; D124-I127 PolarHBondContact O-N 2.87Å; D124-S128 VanDerWaalsContact O-CB 3.28Å; D124-S128 WeakPolarHBondContact O-CB 3.45Å; D124-S128 PolarHBondContact O-N 3.28Å
125K75.9Confident71.6Confident136 Ų136102.5 Ų102.559%0.59153%0.531SS*.Hα-helixtrans-66-42.9178.2-167.2174.7-179.8-169.70112K121 F122 S123 S128 D129K121-K125 PolarHBondContact O-N 2.96Å; F122-K125 PolarHBondContact O-N 3.15Å; S123-K125 VanDerWaalsContact C-N 3.31Å; S123-K125 PolarHBondContact O-N 3.34Å; K125-S128 PolarHBondContact O-N 3.47Å; K125-D129 PolarHBondContact O-N 3.45Å; K125-D129 VanDerWaalsContact O-N 3.08Å
126L69.2Low69.6Low109 Ų109107 Ų10757%0.57155%0.553SS**Hα-helixtrans-65.7-39.5177.4-69.4173.9000112.2F122 S123 H130F122-L126 WeakPolarHBondContact O-CG 3.42Å; F122-L126 PolarHBondContact O-N 2.9Å; F122-L126 VanDerWaalsContact O-N 3.08Å; S123-L126 PolarHBondContact O-N 3.36Å; L126-H130 PolarHBondContact O-CD2 2.86Å; L126-H130 PolarHBondContact O-N 3.28Å
127I66.7Low68Low115 Ų115112 Ų11259%0.5957%0.574SS**Hα-helixtrans-69.1-41177.6-64.5165.7000110.8S123 D124 D129 H130 S131S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 2.92Å; D124-I127 PolarHBondContact O-N 2.87Å; I127-D129 PolarHBondContact O-N 3.06Å; I127-H130 PolarHBondContact O-N 3.32Å; I127-S131 PolarHBondContact O-N 3.26Å; I127-S131 VanDerWaalsContact O-N 3.08Å
128S65.4Low65.9Low58 Ų58117.1 Ų117.141%0.40660%0.598SS.*Hα-helixtrans-59.1-46.6176.7-177.90000111.9D124 K125 H130 S131 N132D124-S128 VanDerWaalsContact O-CB 3.28Å; D124-S128 WeakPolarHBondContact O-CB 3.45Å; D124-S128 PolarHBondContact O-N 3.28Å; K125-S128 PolarHBondContact O-N 3.47Å; S128-H130 VanDerWaalsContact C-N 3.32Å; S128-H130 PolarHBondContact O-N 3.47Å; S128-S131 PolarHBondContact O-N 2.96Å; S128-S131 PolarHBondContact O-OG 3.45Å; S128-N132 PolarHBondContact O-N 2.88Å; S128-N132 PolarHBondContact O-ND2 2.88Å
129D60Low63.4Low96 Ų96120.1 Ų120.151%0.51361%0.614SS.*Hα-helixtrans-66.9-32.6-178.1-69.8-20.6000112.2K125 I127K125-D129 PolarHBondContact O-N 3.45Å; K125-D129 VanDerWaalsContact O-N 3.08Å; I127-D129 PolarHBondContact O-N 3.06Å
130H56.7Low61.4Low136 Ų136119 Ų11963%0.6362%0.619SS**Hα-helixtrans-74.5-30.1173.9-76.6-54.2000113.8L126 I127 S128 N132L126-H130 PolarHBondContact O-CD2 2.86Å; L126-H130 PolarHBondContact O-N 3.28Å; I127-H130 PolarHBondContact O-N 3.32Å; S128-H130 VanDerWaalsContact C-N 3.32Å; S128-H130 PolarHBondContact O-N 3.47Å; H130-N132 VanDerWaalsContact C-N 3.32Å; H130-N132 PolarHBondContact O-N 3.37Å
131S55Low59.4Low50 Ų50122.4 Ų122.435%0.3564%0.637SS.*Hα-helixtrans-73-22.7-179.377.70000113.9I127 S128 K135I127-S131 PolarHBondContact O-N 3.26Å; I127-S131 VanDerWaalsContact O-N 3.08Å; S128-S131 PolarHBondContact O-N 2.96Å; S128-S131 PolarHBondContact O-OG 3.45Å; S131-K135 WeakPolarHBondContact O-CE 3.27Å
132N52.3Low57Low106 Ų106123.5 Ų123.557%0.56765%0.649SS**Hα-helixtrans-90.6-24.3-178.9-68.1-33.6000113.2S128 H130S128-N132 PolarHBondContact O-N 2.88Å; S128-N132 PolarHBondContact O-ND2 2.88Å; H130-N132 VanDerWaalsContact C-N 3.32Å; H130-N132 PolarHBondContact O-N 3.37Å
133A46.7Very low55Low89 Ų89123.7 Ų123.774%0.73666%0.657SS**Hα-helixtrans-77.8-17.7177.900000113.9
134S49Very low53.2Low104 Ų104129.5 Ų129.573%0.72768%0.676SS**THydrogen-bonded Turntrans-102.74.5-172.7-160.60000115.5
135K51.9Low51.4Low160 Ų160130.8 Ų130.870%0.69668%0.683SS**  trans-93.97-173.4-73.3178.9-176.2166.60116.1S131 K137S131-K135 WeakPolarHBondContact O-CE 3.27Å; K135-K137 PolarHBondContact O-N 3.49Å
136N45.9Very low49.5Very low159 Ų159130.6 Ų130.685%0.8569%0.688SS**  trans-103.561.4178.4-155.5-0.1000112.3
137K51.6Low48Very low193 Ų193132.9 Ų132.984%0.83970%0.701SS**SBendtrans-162.6120.5162.5-112.4169.5-176.41780109.3K135K135-K137 PolarHBondContact O-N 3.49Å
138Q45.2Very low46.9Very low193 Ų193132.8 Ų132.890%0.90271%0.711SS**  trans87.687.5169-60.8-176-30.500117.6
139N36.4Very low45.3Very low154 Ų154138.2 Ų138.282%0.82474%0.736SS**  trans-51.8154142.4-147.6-10000111.1
140I47.5Very low44.4Very low139 Ų139141 Ų14171%0.71375%0.746SS**  trans116.6105.2162.3-58.5164.9000115.8
141N44.8Very low43.4Very low149 Ų149143.7 Ų143.780%0.79776%0.755SS**  trans93.597.6148.7-64.2-9.2000121.6
142N38.1Very low42.5Very low159 Ų159149.4 Ų149.485%0.8577%0.774SS**  trans-24.4133.5143.8-58.7-25.1000114.8
143N40.4Very low41.7Very low139 Ų139151.3 Ų151.374%0.74378%0.784SS**  176.3146.1100.4-140.1-14.2000112.3
144K43.4Very low41.3Very low165 Ų165153.2 Ų153.272%0.71779%0.786SS**  trans72.9101.4153.4-78.9170.5-179.4178.30120.9
145N36.3Very low40.6Very low137 Ų137155.7 Ų155.773%0.73379%0.792SS**  62.4121.3108.2-75.19.8000121.1
146N37.8Very low40.1Very low132 Ų132153.9 Ų153.971%0.70679%0.794SS**  trans104.7111.7133.5-62.9-10.9000118.8
147N35.8Very low39.5Very low157 Ų157156.5 Ų156.584%0.8479%0.793SS**  trans43.8109133-70.5-5.1000118.4
148S44.5Very low39Very low113 Ų113153.8 Ų153.879%0.7979%0.787SS**  -155123.612825.60000109.7E150S148-E150 PolarHBondContact O-N 3.17Å
149N32.3Very low38.5Very low173 Ų173148.6 Ų148.693%0.92577%0.77SS**  trans-64.1110165.8-67.2-37.5000108
150E41Very low38.5Very low155 Ų155152.2 Ų152.272%0.72477%0.774SS**  trans-114.3106.7165-107.2-177.3172.900109.8S148 F152S148-E150 PolarHBondContact O-N 3.17Å; E150-F152 HydrophobicContact CB-CE2 4.26Å; E150-F152 PolarHBondContact O-N 2.88Å
151K35.4Very low37.9Very low192 Ų192152.5 Ų152.584%0.83578%0.777SS**  trans-73.6101.3173.6-155.6-177-171.9-169.50106.4D153K151-D153 PolarHBondContact O-N 3.24Å
152F35Very low37.6Very low170 Ų170154.5 Ų154.575%0.74678%0.781SS**  trans-81103.9173.6-88.8-86.9000109.3E150 V154E150-F152 HydrophobicContact CB-CE2 4.26Å; E150-F152 PolarHBondContact O-N 2.88Å; F152-V154 PolarHBondContact O-N 2.93Å
153D36.8Very low37.5Very low146 Ų146151.7 Ų151.778%0.78177%0.771SS**  trans-64.1110.7167.2-86.7-37.1000109.5K151 N155K151-D153 PolarHBondContact O-N 3.24Å; D153-N155 PolarHBondContact O-N 3.44Å
154V37.8Very low37.5Very low128 Ų128153.3 Ų153.378%0.77678%0.779SS**  trans-83.389.9173.1179.10000107.7F152F152-V154 PolarHBondContact O-N 2.93Å
155N35.3Very low37.4Very low157 Ų157153.4 Ų153.484%0.8478%0.779SS**  trans-159.369.3163.9-104.8-12.3000111D153D153-N155 PolarHBondContact O-N 3.44Å
156T39.9Very low37.4Very low121 Ų121155 Ų15574%0.74279%0.785SS**  trans-11887.3164.7-50.70000109I158T156-I158 HydrophobicContact CG2-CG1 4.15Å; T156-I158 PolarHBondContact O-N 3.2Å; T156-I158 VanDerWaalsContact O-N 3.08Å
157Y34.6Very low37.7Very low214 Ų214157.8 Ų157.884%0.83979%0.786SS**  trans-58101.1160.1-165-97.2000107.5P159Y157-P159 VanDerWaalsContact O-CD 3.24Å; Y157-P159 WeakPolarHBondContact O-CD 3.27Å
158I41Very low37.7Very low136 Ų136155.9 Ų155.970%0.69779%0.785SS**  trans-83.8109.5174.3-59.1176.8000107T156T156-I158 HydrophobicContact CG2-CG1 4.15Å; T156-I158 PolarHBondContact O-N 3.2Å; T156-I158 VanDerWaalsContact O-N 3.08Å
159P33.9Very low37.6Very low84 Ų84158.2 Ų158.255%0.54578%0.783SS.*  trans-74.4129.5170.7217.4000107.5Y157 N161Y157-P159 VanDerWaalsContact O-CD 3.24Å; Y157-P159 WeakPolarHBondContact O-CD 3.27Å; P159-N161 PolarHBondContact O-N 3.14Å
160Y36.5Very low37.8Very low231 Ų231157 Ų15791%0.90678%0.777SS**SBendtrans-63.885.4169.7-77.2-88.1000110
161N36Very low37.8Very low145 Ų145157.6 Ų157.678%0.77578%0.78SS**  trans-140.791.5162.1-85.3-27.3000106.5P159 P163P159-N161 PolarHBondContact O-N 3.14Å; N161-P163 WeakPolarHBondContact O-CD 3.14Å
162H37.4Very low37.9Very low190 Ų190153.1 Ų153.188%0.8877%0.772SS**  trans-85.6110.9164.8-104.6-67.8000108.1
163P36.1Very low38.1Very low101 Ų101152.5 Ų152.566%0.65678%0.777SS**  trans-75.9127.5156.225-17.1000107.6N161 K165N161-P163 WeakPolarHBondContact O-CD 3.14Å; P163-K165 PolarHBondContact O-N 2.78Å
164L39.8Very low37.9Very low173 Ų173152.2 Ų152.291%0.90678%0.775SS**  trans-51.6101.6168.7-76.9159.6000109.1M166L164-M166 PolarHBondContact O-N 2.93Å; L164-M166 VanDerWaalsContact O-N 3.08Å
165K41.7Very low38.1Very low167 Ų167156.1 Ų156.173%0.72678%0.777SS**  trans-71.5101165.8-76.6-173.3178.6-178.90107.6P163 Y167P163-K165 PolarHBondContact O-N 2.78Å; K165-Y167 HydrophobicContact CB-CD2 4.33Å; K165-Y167 HydrophobicContact CB-CE2 4.12Å; K165-Y167 PolarHBondContact O-N 3.44Å; K165-Y167 VanDerWaalsContact O-N 3.15Å
166M37.9Very low38.2Very low171 Ų171155.4 Ų155.484%0.84277%0.774SS**  trans-65.9105.9163.6-67.5-131.77500108L164 S168L164-M166 PolarHBondContact O-N 2.93Å; L164-M166 VanDerWaalsContact O-N 3.08Å; M166-S168 PolarHBondContact O-N 3.06Å
167Y43.5Very low38.3Very low189 Ų189157.8 Ų157.874%0.74178%0.78SS**  trans-80.4101.9165.6-83.7-90.3000108.3K165 H169K165-Y167 HydrophobicContact CB-CD2 4.33Å; K165-Y167 HydrophobicContact CB-CE2 4.12Å; K165-Y167 PolarHBondContact O-N 3.44Å; K165-Y167 VanDerWaalsContact O-N 3.15Å; Y167-H169 PolarHBondContact O-N 3.43Å
168S34.6Very low38.6Very low117 Ų117154.9 Ų154.982%0.81878%0.779SS**  trans-72.4105.8152.7-81.70000107.6M166M166-S168 PolarHBondContact O-N 3.06Å
169H43.2Very low38.6Very low162 Ų162159.7 Ų159.775%0.7579%0.788SS**  trans-135.797.2161.9-12656.5000108.5Y167 H171Y167-H169 PolarHBondContact O-N 3.43Å; H169-H171 PolarHBondContact O-N 3.22Å
170D36.2Very low38.8Very low147 Ų147163.9 Ų163.979%0.78680%0.801SS**  trans-53.9113.9151-81.9-46.5000107.3
171H41.6Very low38.6Very low169 Ų169158.8 Ų158.878%0.78280%0.798SS**  trans-179.4130.8132.4-85.5-37.6000110H169 N173H169-H171 PolarHBondContact O-N 3.22Å; H171-N173 PolarHBondContact O-N 3.31Å
172S36.7Very low38.7Very low98 Ų98158.5 Ų158.569%0.68580%0.796SS**  trans-20.6120.7162.652.30000115.1
173N38.7Very low38.6Very low157 Ų157153.4 Ų153.484%0.8478%0.782SS**  -175128.3117.7-84.8-28.5000109.3H171H171-N173 PolarHBondContact O-N 3.31Å
174D34.6Very low38.7Very low139 Ų139156.4 Ų156.474%0.74379%0.791SS**  trans-52.2162.7161.4-98.1-47.7000110.7
175Y40.7Very low38.4Very low210 Ų210155.5 Ų155.582%0.82479%0.787SS**  trans103.7110.4167.5-51.9-72.7000117.6
176D37.5Very low38.1Very low143 Ų143152.5 Ų152.577%0.76578%0.783SS**  trans69.178.3151.5-67.8-32.7000121.8N178D176-N178 VanDerWaalsContact C-N 3.32Å
177I42.6Very low37.9Very low171 Ų171149.1 Ų149.188%0.87778%0.777SS**  trans-91.313.6162.9-56.7173.1000112.1R179I177-R179 PolarHBondContact O-N 2.96Å
178N39.9Very low37.5Very low152 Ų152146.9 Ų146.981%0.81378%0.776SS**THydrogen-bonded Turntrans-90.919-171.3-127.92.4000115.7D176D176-N178 VanDerWaalsContact C-N 3.32Å
179R41.1Very low37.3Very low237 Ų237145.7 Ų145.789%0.89477%0.768SS**THydrogen-bonded Turntrans-118.80.2-169.4-114.7-179-164.4-110.92.1117.8I177I177-R179 PolarHBondContact O-N 2.96Å
180Q38.2Very low37.3Very low173 Ų173144.7 Ų144.781%0.80877%0.768SS**SBendtrans-114.29.1-168.3-142.8163.424.600116.3
181C33.1Very low37.2Very low124 Ų124145.8 Ų145.884%0.83877%0.768SS**SBendtrans-99.63.2176.5-65.20000114.7
182N37.5Very low37.2Very low138 Ų138145.3 Ų145.374%0.73877%0.77SS**SBendtrans-112.16.2-172.8-67.6-6.8000114.8
183S36Very low37Very low83 Ų83145.7 Ų145.758%0.5877%0.772SS**THydrogen-bonded Turntrans-96.110-171.171.90000115.9
184L36.8Very low37Very low165 Ų165142.9 Ų142.986%0.86477%0.765SS**THydrogen-bonded Turntrans-111.48.2178.1-75.6165.2000114.2
185N35.3Very low36.9Very low153 Ų153144.8 Ų144.882%0.81877%0.769SS**  trans-103.427.8174.2-76-12.6000113S187N185-S187 PolarHBondContact O-N 3.1Å
186T34.1Very low36.7Very low105 Ų105142.7 Ų142.764%0.64477%0.771SS**  trans-83.1102.5174.141.40000110.8
187S33.3Very low36.6Very low100 Ų100141.4 Ų141.470%0.69977%0.769SS**  trans64.476.7138.152.70000118.3N185N185-S187 PolarHBondContact O-N 3.1Å
188I35.6Very low36.1Very low141 Ų141140.5 Ų140.572%0.72377%0.766SS**  trans-89.485.1142.2-59.5175.8000106N190I188-N190 PolarHBondContact O-N 3.19Å
189S31.6Very low36Very low93 Ų93142.1 Ų142.165%0.6577%0.768SS**  trans-83.7100.3172.8-175.80000108.4H191S189-H191 PolarHBondContact O-N 3.02Å; S189-H191 VanDerWaalsContact O-N 3.15Å
190N42.6Very low35.6Very low140 Ų140138.4 Ų138.475%0.74977%0.766SS**  trans-78.192.7170.1-74.3-19.9000108.9I188 I192I188-N190 PolarHBondContact O-N 3.19Å; N190-I192 PolarHBondContact O-N 3.43Å; N190-I192 VanDerWaalsContact O-N 3.11Å
191H34.2Very low35.5Very low170 Ų170135.6 Ų135.679%0.78777%0.766SS**  trans-72.190.8162.5-111.2-87.8000108.9S189S189-H191 PolarHBondContact O-N 3.02Å; S189-H191 VanDerWaalsContact O-N 3.15Å
192I40.7Very low35.3Very low160 Ų160135.3 Ų135.382%0.82177%0.765SS**  trans-11299.5152.2-63.8179.6000106.5N190N190-I192 PolarHBondContact O-N 3.43Å; N190-I192 VanDerWaalsContact O-N 3.11Å
193S32.4Very low35.2Very low105 Ų105133.4 Ų133.473%0.73476%0.762SS**  trans-72.7116.2170.7-177.80000109.1
194S38.5Very low35.1Very low98 Ų98137.8 Ų137.869%0.68577%0.773SS**  trans-166.3110139.7-7.70000110.6
195Q33.8Very low35Very low180 Ų180140.2 Ų140.284%0.84177%0.773SS**  trans39.5108.8133.8-59.7177.35.400118
196L35.4Very low35Very low165 Ų165142.5 Ų142.586%0.86478%0.776SS**  -173.397.5129.6-96.5143.7000110.8
197T35.9Very low35Very low116 Ų116144.8 Ų144.871%0.71278%0.784SS**  trans24.8116140.857.40000120.5
198N31.4Very low35.3Very low153 Ų153145.4 Ų145.482%0.81878%0.783SS**  trans-19.7126.6148.3-64.4-35.9000116.5
199H37.9Very low35.4Very low186 Ų186146.8 Ų146.886%0.86178%0.784SS**  trans-150.4101.8139.5-81.3-64.3000110.5
200N32.8Very low35.9Very low158 Ų158149.9 Ų149.985%0.84579%0.792SS**  trans-73.6132.8156.2-88-25.6000108.9
201S35.8Very low35.6Very low115 Ų115150.5 Ų150.580%0.80479%0.791SS**  trans170.2106.9145.9-76.20000108.3
202S30.5Very low35.8Very low117 Ų117147.6 Ų147.682%0.81879%0.79SS**  58.2102.294.9-1710000114.1
203S33.8Very low35.9Very low99 Ų99145.7 Ų145.769%0.69279%0.786SS**  trans177113.8135.7510000109.1
204Q35.8Very low36.4Very low174 Ų174147 Ų14781%0.81379%0.791SS**  91.1104.4100.6-73.8-179.13.300113.8
205Y33.2Very low36.6Very low216 Ų216150.2 Ų150.285%0.84780%0.8SS**  trans8.5120.4140-64.1-88.8000118.1
206F36Very low36.8Very low201 Ų201148.3 Ų148.388%0.88280%0.801SS**  trans-134.4110.5142.9-94.5-82.1000110.1
207N34Very low37.2Very low154 Ų154146 Ų14682%0.82480%0.798SS**  trans-91.5116.3168.8-134.9-38.2000106.2
208V40.5Very low37.5Very low112 Ų112150.4 Ų150.468%0.67981%0.808SS**  trans-124.8107.6168.2-177.90000108.4L210V208-L210 HydrophobicContact CG1-CD1 4.47Å; V208-L210 HydrophobicContact CG1-CG 4.36Å
209K37.2Very low38.4Very low170 Ų170153.1 Ų153.174%0.73981%0.812SS**  trans-86114.3174.6-172164.3-174.8172.50108.1
210L41.8Very low38.3Very low158 Ų158151.5 Ų151.583%0.82781%0.808SS**  trans-120.5102.6166.7-80.4167.1000109.2V208V208-L210 HydrophobicContact CG1-CD1 4.47Å; V208-L210 HydrophobicContact CG1-CG 4.36Å
211H37Very low38.8Very low154 Ų154152.1 Ų152.171%0.71381%0.811SS**  trans-71.4135.1157.2-87.8-105.1000108.6
212S37.8Very low38.9Very low109 Ų109155.5 Ų155.576%0.76281%0.811SS**  trans173.7112.2132.3-75.10000112.4
213T43Very low39.7Very low120 Ų120156.3 Ų156.374%0.73681%0.811SS**  trans31.5127.8144.756.80000121.9
214P41.5Very low40Very low131 Ų131156.6 Ų156.685%0.85181%0.813SS**PPolyproline II helixtrans-88.3119.4161.532.8-26000111.4
215L42.9Very low40.3Very low166 Ų166153.7 Ų153.787%0.86981%0.808SS**PPolyproline II helixtrans-80.9127169.4-94152.9000110.6
216T39.4Very low41Very low141 Ų141150.2 Ų150.287%0.86580%0.803SS**PPolyproline II helixtrans-76.1126.5169.6-14.30000109.1
217S43.6Very low41.1Very low115 Ų115146.9 Ų146.980%0.80480%0.795SS**  trans-146.3112.816156.10000111.4
218K42.6Very low41.9Very low209 Ų209151.1 Ų151.191%0.90980%0.801SS**  trans-79.7125.7158.9-79.8176.8172.8177.80107.2
219K49.2Very low41.8Very low211 Ų211152.5 Ų152.592%0.91781%0.805SS**  trans-148.4126.1148.4-98.9-175.5-175.3178.60110.2
220I36.8Very low42.5Very low152 Ų152152.2 Ų152.278%0.77981%0.81SS**  trans-77.9135.3172.4-67.6158.5000107.7
221L43.4Very low42.5Very low171 Ų171153.3 Ų153.390%0.89581%0.808SS**  trans-150.6135.2151.2-145.776.1000110.4
222K36.6Very low43.1Very low185 Ų185151.5 Ų151.580%0.80481%0.81SS**  trans-95.2140.8-179.6-65.7170.8171.7179.10109.8
223T47.6Very low43.5Very low135 Ų135153.8 Ų153.883%0.82881%0.812SS**  trans-160.399.1152.347.80000106.3
224S41.4Very low43.7Very low105 Ų105154 Ų15473%0.73481%0.812SS**  66.1118.987.5-1560000115.4
225T41.3Very low43.9Very low113 Ų113153.9 Ų153.969%0.69381%0.809SS**  trans62.2129.3150.622.70000117.2
226D46.9Very low44.1Very low142 Ų142152.1 Ų152.176%0.75981%0.806SS**  cis-156.515542.5-84.8-50.2000114.3
227N38.7Very low44Very low132 Ų132151.4 Ų151.471%0.70681%0.806SS**  trans-15.5134.4165.2-73-49.2000120
228Y51.8Low44.2Very low242 Ų242156.3 Ų156.395%0.94981%0.809SS**  -154.3131.9117.7-90.3-73.2000110.8
229N37.7Very low44.1Very low142 Ų142149.2 Ų149.276%0.75979%0.785SS**  trans-67.5123.8-174.3-107.9-49.9000113.8
230I51.1Low43.8Very low164 Ų164148 Ų14884%0.84178%0.783SS**  trans-141.5114.1150.3-56.2-178.7000108.2
231K41.8Very low44Very low181 Ų181146.8 Ų146.879%0.78779%0.788SS**PPolyproline II helixtrans-72.9135.4179-69.4176.9175.9179.90111
232P50.6Low44.1Very low116 Ų116147.1 Ų147.175%0.75379%0.79SS**PPolyproline II helixtrans-83.9124.7158.530.4-25.8000109.8V234P232-V234 PolarHBondContact O-N 3.35Å
233I45.1Very low44.7Very low157 Ų157145.6 Ų145.681%0.80579%0.79SS**PPolyproline II helixtrans-65.7123167.2-90.7166.3000108.5T235I233-T235 HydrophobicContact CG2-CG2 4.36Å
234V46.8Very low44.5Very low124 Ų124144.2 Ų144.275%0.75279%0.786SS**  trans-101113.4166.4173.90000106.5P232P232-V234 PolarHBondContact O-N 3.35Å
235T47Very low44.5Very low128 Ų128142.3 Ų142.379%0.78578%0.783SS**PPolyproline II helixtrans-85.3123.5168.526.30000109.3I233I233-T235 HydrophobicContact CG2-CG2 4.36Å
236T45.8Very low44.8Very low130 Ų130144.7 Ų144.780%0.79879%0.79SS**PPolyproline II helixtrans-73.4144.2-172.942.90000113.8
237S38.6Very low45.2Very low125 Ų125146 Ų14687%0.87479%0.792SS**PPolyproline II helixtrans-69.7144169.1-330000112.2
238Y46.6Very low45.5Very low219 Ų219146.6 Ų146.686%0.85980%0.795SS**PPolyproline II helixtrans-97124.8-178.2-178.9-100.6000111.4
239S41.7Very low45.3Very low59 Ų59141.6 Ų141.641%0.41379%0.789SS.*  trans59.2112.1142.5-49.80000120.2
240Q42.3Very low45.9Very low187 Ų187140.8 Ų140.887%0.87479%0.789SS**  98.2108.985.4-80.8179.728.900112.1
241S42.1Very low45.5Very low126 Ų126140 Ų14088%0.88179%0.787SS**  trans-165.2133.7131.359.80000110.1
242L44Very low45.6Very low177 Ų177138 Ų13893%0.92779%0.79SS**  trans-88.5137.7172.8-68.9156.7000107.9
243D50.3Low45Very low153 Ų153141.3 Ų141.382%0.81880%0.796SS**  trans-159.4144139.9-151.5-7.6000111.4
244S42.9Very low44.9Very low106 Ų106141.7 Ų141.774%0.74180%0.798SS**  trans-26.6154.8170.154.40000117.3
245G40.6Very low44.5Very low65 Ų65142.9 Ų142.967%0.6780%0.801SS**  cis136.7151.225.100000107.5
246I47.6Very low44.3Very low164 Ų164144.1 Ų144.184%0.84180%0.8SS**  trans97.196.9164-46.6160.9000117.9
247E55.5Low44.2Very low169 Ų169143 Ų14379%0.7980%0.798SS**  47.5120125.2-57.9-175.417500123.6
248D45Very low44Very low145 Ų145147.4 Ų147.478%0.77580%0.797SS**  43116.7126.3-62.1-18.7000121.5
249T48.9Very low43.9Very low136 Ų136146.9 Ų146.983%0.83480%0.799SS**  -170.8115.2124.915.20000113.9
250V49.5Very low43.6Very low125 Ų125149.7 Ų149.776%0.75882%0.819SS**  50.6107.6129.8-169.40000120.5
251N42.2Very low43.4Very low149 Ų149149.6 Ų149.680%0.79782%0.819SS**  trans16.6125.1132.3-67.7-21.6000119.4
252T43.5Very low43.1Very low138 Ų138149.1 Ų149.185%0.84782%0.815SS**  -155122127-650000110.1
253Q38.3Very low42.9Very low186 Ų186148.2 Ų148.287%0.86981%0.81SS**  trans-94.5123177.8-178.3178.755.600108.2
254L44.1Very low42.2Very low165 Ų165148.3 Ų148.386%0.86481%0.81SS**  trans-136.8119.8161.7-95.4171000110.7
255N37.6Very low41.8Very low149 Ų149148.6 Ų148.680%0.79781%0.811SS**  trans-92.4126.2-173.3-161.33000107.7
256I43.7Very low41.5Very low153 Ų153151.8 Ų151.879%0.78582%0.818SS**  trans-130.5117.6169.4-51.8179.9000109.6
257S42.6Very low41.1Very low108 Ų108152.8 Ų152.876%0.75582%0.819SS**  trans-68.3139.7-177.6179.50000113.3
258Y35.2Very low40.2Very low217 Ų217149.4 Ų149.485%0.85181%0.814SS**  trans-75.9141.3169.3-59.8-88.1000111.4
259K43.6Very low39.9Very low207 Ų207148.5 Ų148.590%0.982%0.816SS**  trans-140.3110.5161.1-127.6-179-174.61800109.1
260S37.1Very low39.6Very low118 Ų118150.5 Ų150.583%0.82582%0.816SS**  trans-78.1133.4173.3-48.70000110
261Q37.7Very low38.8Very low186 Ų186152.3 Ų152.387%0.86982%0.82SS**  trans-130.5117.8163.4-99.4174.2-5.500109.3
262S36.1Very low38.7Very low116 Ų116153.4 Ų153.481%0.81183%0.825SS**  trans-74.3131.2170.350.70000110.3
263I39.8Very low38.5Very low157 Ų157154.7 Ų154.781%0.80582%0.821SS**  trans-117.3111.6168.9-55.7174.4000107.4
264N34.5Very low38.4Very low155 Ų155154.4 Ų154.483%0.82982%0.822SS**  trans-71.6130.5163.1-75.1-35.4000108.3
265C33.8Very low38.1Very low112 Ų112150.9 Ų150.976%0.75781%0.811SS**  trans-132.5102.2162.3-157.10000109
266T35.4Very low38Very low133 Ų133153 Ų15382%0.81682%0.816SS**  trans-76.7121.4163.6400000109
267Q39.4Very low38Very low184 Ų184157 Ų15786%0.8682%0.822SS**  trans-148116.7157.4-109.1172.116.600111.5
268S36.6Very low37.7Very low99 Ų99158.5 Ų158.569%0.69282%0.82SS**  trans-15.5143.2163.6-179.60000118.9
269P39.1Very low38.1Very low125 Ų125157.9 Ų157.981%0.81282%0.822SS**  trans-82.3125.9169.632.8-27.9000111
270Q41.1Very low38Very low179 Ų179156.4 Ų156.484%0.83682%0.815SS**  trans-110.6108.9164-74.7-167-7.100110.2
271L34.1Very low38Very low162 Ų162159.1 Ų159.185%0.84882%0.815SS**  trans13.1108.4136.3-85.7147.3000116.8
272L39.2Very low38Very low173 Ų173157.4 Ų157.491%0.90681%0.812SS**  trans-130.697.3146.8-96.8167.1000109.3M274L272-M274 PolarHBondContact O-N 3.48Å
273H40.2Very low37.9Very low164 Ų164162.1 Ų162.176%0.75981%0.813SS**  trans-70.6112.3166.7176.9-97.2000108.5
274M36.6Very low37.9Very low181 Ų181165.9 Ų165.989%0.89282%0.819SS**  trans-137.399162.1-124-158.1-179.400111.8L272L272-M274 PolarHBondContact O-N 3.48Å
275S37.2Very low37.7Very low90 Ų90164.1 Ų164.163%0.62981%0.81SS**  trans37.796.5142.9-56.10000118.7R277S275-R277 PolarHBondContact O-N 3.49Å
276Q36.1Very low38.1Very low194 Ų194166.8 Ų166.891%0.90781%0.814SS**  trans-57.9117.6153.4-71.8168.10.900110
277R42.5Very low38.2Very low237 Ų237166.3 Ų166.389%0.89481%0.807SS**  trans-105.5112.4156.8-77.7-165.7-157.2169.77.9109.5S275 F279S275-R277 PolarHBondContact O-N 3.49Å; R277-F279 PolarHBondContact O-N 3.08Å
278I36.6Very low38Very low139 Ų139166.3 Ų166.371%0.71381%0.807SS**  trans-53.2123169.5-63.6158000109.8K280I278-K280 HydrophobicContact CG2-CG 4.02Å
279F42.6Very low38Very low204 Ų204166.1 Ų166.190%0.89580%0.804SS**  trans-120.3106.3150.4-105.8-83.4000108.4R277R277-F279 PolarHBondContact O-N 3.08Å
280K41.6Very low38Very low176 Ų176166.1 Ų166.177%0.76580%0.801SS**  trans-65.1131.9167.4-70.4173.5172.7179.10108.9I278I278-K280 HydrophobicContact CG2-CG 4.02Å
281Q38.8Very low37.9Very low176 Ų176165.3 Ų165.382%0.82280%0.797SS**  trans168103.6131.5-97170.2-7.200110.5
282N36.5Very low38.1Very low150 Ų150164 Ų16480%0.80279%0.791SS**  160.6107.8114.5-79.9-29000109.6
283Y34Very low38.1Very low214 Ų214163.7 Ų163.784%0.83979%0.785SS**  trans-60.8127.4166-86.6-105.3000109.7
284Y39.4Very low38.1Very low237 Ų237162.8 Ų162.893%0.92978%0.784SS**  trans-148.5116.5133.3-87.8-71.7000108.4
285N30.8Very low38Very low117 Ų117160.2 Ų160.263%0.62678%0.782SS**  trans-89.8122.6176.2174.4-9.6000107.9N287N285-N287 PolarHBondContact OD1-N 3.25Å; N285-N287 PolarHBondContact OD1-OD1 2.62Å
286I41.4Very low38.3Very low168 Ų168164.7 Ų164.786%0.86279%0.793SS**  trans-136.9114.2150.9-63.1-176.6000107.7
287N38.2Very low38.7Very low123 Ų123164 Ų16466%0.65879%0.791SS**  trans-60.9147.3176.5-57.1-64.1000113.2N285N285-N287 PolarHBondContact OD1-N 3.25Å; N285-N287 PolarHBondContact OD1-OD1 2.62Å
288Q36.5Very low38.7Very low184 Ų184160.5 Ų160.586%0.8679%0.788SS**  trans135.5146.3133-74.4-127.718.100115.2
289P36.1Very low39.2Very low96 Ų96160.4 Ų160.462%0.62379%0.787SS**  -119.8167.3-125.942.5-32.9000114.4
290V37.8Very low39.1Very low125 Ų125157.5 Ų157.576%0.75878%0.781SS**  trans62.7118.1141.3175.40000114.4
291E39.4Very low39.2Very low162 Ų162155.2 Ų155.276%0.75778%0.776SS**  -166.8144.976.7-76.4177.117500110.6
292N37.9Very low39.6Very low135 Ų135151.8 Ų151.872%0.72277%0.772SS**  trans42.4127.8140.3-53.7-15.3000117.7
293E40Very low40Very low166 Ų166153.4 Ų153.478%0.77677%0.772SS**  173.8157.151.1-136.3167.6-164.600108
294I40.6Very low40.8Very low145 Ų145152.8 Ų152.874%0.74477%0.774SS**  trans85.7101.3158.9-55.1157.9000117.4E296I294-E296 PolarHBondContact O-N 2.94Å
295C34.3Very low41.2Very low126 Ų126150.9 Ų150.985%0.85177%0.771SS**PPolyproline II helixtrans-60.3119.8161.2-70.90000111.3
296E43.5Very low41.6Very low184 Ų184153.5 Ų153.586%0.8678%0.779SS**PPolyproline II helixtrans-100.6122.5155.1-81.5-160.916200110.3I294I294-E296 PolarHBondContact O-N 2.94Å
297Q44Very low42.2Very low181 Ų181154.7 Ų154.785%0.84678%0.778SS**PPolyproline II helixtrans-58.6131.7179.7-74.1166.4-1.500111.6I299Q297-I299 PolarHBondContact O-N 2.83Å; Q297-I299 VanDerWaalsContact O-N 3.17Å
298I42.1Very low42.6Very low162 Ų162156.8 Ų156.883%0.83178%0.784SS**  trans-66.4107.9168.4-63.2169000107.8D300I298-D300 PolarHBondContact O-N 3.4Å
299I47Very low42.8Very low138 Ų138153.9 Ų153.971%0.70878%0.778SS**  trans-80.1101.8165.5-64173.8000107.4Q297 L301Q297-I299 PolarHBondContact O-N 2.83Å; Q297-I299 VanDerWaalsContact O-N 3.17Å; I299-L301 HydrophobicContact CG2-CD1 3.72Å; I299-L301 HydrophobicContact CG2-CG 3.71Å; I299-L301 PolarHBondContact O-N 3.4Å
300D42.2Very low43Very low143 Ų143157.1 Ų157.177%0.76579%0.791SS**  trans-84.895.2169.9-161.36.7000109.2I298 S302I298-D300 PolarHBondContact O-N 3.4Å; D300-S302 PolarHBondContact O-N 3.32Å
301L43Very low43.2Very low127 Ų127159.3 Ų159.367%0.66579%0.792SS**  trans-90.687.5175.2-85156.7000109.8I299 F303I299-L301 HydrophobicContact CG2-CD1 3.72Å; I299-L301 HydrophobicContact CG2-CG 3.71Å; I299-L301 PolarHBondContact O-N 3.4Å; L301-F303 HydrophobicContact CD2-CE2 4.19Å; L301-F303 PolarHBondContact O-N 3.49Å
302S47.8Very low43.5Very low105 Ų105160.2 Ų160.273%0.73480%0.796SS**  trans-73.2103.2164.354.10000110.2D300 K304D300-S302 PolarHBondContact O-N 3.32Å; S302-K304 PolarHBondContact O-N 3.17Å
303F44.4Very low43.7Very low184 Ų184161.8 Ų161.881%0.80780%0.799SS**  trans-8996168-94.9-84.3000110.2L301 K305L301-F303 HydrophobicContact CD2-CE2 4.19Å; L301-F303 PolarHBondContact O-N 3.49Å; F303-K305 PolarHBondContact O-N 2.78Å
304K50.2Low44.1Very low200 Ų200162.4 Ų162.487%0.8780%0.801SS**  trans-80.9100.4164.6-136.7176.7-173.5179.30107.7S302S302-K304 PolarHBondContact O-N 3.17Å
305K48.2Very low44.2Very low198 Ų198162.8 Ų162.886%0.86180%0.8SS**  trans-94.898.2175.1-157.1178.4-173.5-177.80108.8F303F303-K305 PolarHBondContact O-N 2.78Å
306Q40.1Very low44.7Very low172 Ų172166.3 Ų166.380%0.80480%0.804SS**  trans-104112.1166.9-172.4166.6900106.9
307K52.9Low44.7Very low192 Ų192164.5 Ų164.584%0.83580%0.795SS**  trans-134111.4169-148.9176.9-175.4-175.30108.2
308Q47.4Very low44.7Very low168 Ų168163.8 Ų163.879%0.78580%0.796SS**  trans-61.1138.1174-73.9169.7-10.200110.1
309T39.1Very low44.8Very low122 Ų122163.7 Ų163.775%0.74879%0.791SS**  trans-87.7124.9166.4500000108.6
310N42.3Very low44.7Very low164 Ų164165.3 Ų165.388%0.87780%0.796SS**  trans-127.1114.9156.2-97.5-31.4000107.6
311H41.5Very low44.9Very low171 Ų171164.3 Ų164.379%0.79280%0.795SS**  trans-77.7126.6173.4-87.5-79.9000109.7
312H44.6Very low44.9Very low182 Ų182168.9 Ų168.984%0.84381%0.809SS**  trans-150.5127.5137.2-131.757000109.9
313H43.4Very low45.1Very low167 Ų167171.8 Ų171.877%0.77381%0.812SS**  trans-110.8122.7-172.9-146.453.9000105.4
314H47.2Very low45.4Very low180 Ų180170.8 Ų170.883%0.83381%0.809SS**  trans-131.7126.6157.4-115.9-60.4000108.5
315H42.6Very low45.3Very low153 Ų153170 Ų17071%0.70881%0.809SS**  trans-54.7138.4179-118.2-103.3000112.8
316E45.6Very low45Very low200 Ų200168.1 Ų168.194%0.93581%0.808SS**  -161.6149.1128.1-114.5172.9-173.700111
317E42.6Very low45.7Very low146 Ų146165.2 Ų165.268%0.68280%0.802SS**  trans-114.6115.1-148.8176.7-179.7-152.400109
318I44.7Very low45.3Very low166 Ų166167.1 Ų167.185%0.85180%0.804SS**  trans-140.7118.6163.2-58.3-178000109.6
319H43.6Very low45.9Very low160 Ų160170.7 Ų170.774%0.74181%0.81SS**  trans-66.4125171.3-74.2-98.2000111.7
320Q45.8Very low46.9Very low171 Ų171169.4 Ų169.480%0.79980%0.804SS**  trans-161.5120.1142.1-134.3136.110.100113.3
321T46Very low47.4Very low123 Ų123171.7 Ų171.776%0.75580%0.802SS**  trans4499.3147.254.80000119.1
322K42.2Very low47.8Very low222 Ų222172 Ų17297%0.96581%0.809SS**  trans-80.5108.5157.8-80.3177176.2172.80109.2
323E52.8Low48.2Very low167 Ų167175 Ų17578%0.7883%0.831SS**  trans-127.5115.2165.4-154.7166-154.700108.2
324E50Low48.4Very low162 Ų162175.5 Ų175.576%0.75783%0.834SS**  trans5388.1151-58.1-172.3161.800119.9
325Q48Very low48.5Very low183 Ų183175.2 Ų175.286%0.85583%0.834SS**  trans-131.371.2142.9-74-165.8-4.700110.4V327Q325-V327 PolarHBondContact O-N 2.94Å
326N43.1Very low48.8Very low159 Ų159176.4 Ų176.485%0.8584%0.841SS**  trans-75.778.3163.3-81.9-33.3000109.5
327V53.5Low49Very low112 Ų112175.1 Ų175.168%0.67984%0.836SS**  trans-94.295.6169.1-1770000108.7Q325 R329Q325-V327 PolarHBondContact O-N 2.94Å; V327-R329 PolarHBondContact O-N 3.42Å
328W45.4Very low49.4Very low231 Ų231176.9 Ų176.988%0.87585%0.845SS**  trans25.194.2151.7-71.291.2000117.6
329R60.5Low49.7Very low243 Ų243177.6 Ų177.692%0.91785%0.845SS**  trans-118.9112.7153.3-74.5-169.8-175.3-1293.7109.6V327V327-R329 PolarHBondContact O-N 3.42Å
330P60.3Low50.1Low96 Ų96178.9 Ų178.962%0.62385%0.852SS**  trans-87.4120169.76.312.3000110.2
331Y53.1Low50.5Low211 Ų211179.5 Ų179.583%0.82786%0.856SS**  trans60.4100153.3-59.1-81.8000119.7
332L49.1Very low50.8Low178 Ų178184.2 Ų184.293%0.93287%0.865SS**  trans-150.691.8143.8-80.9177.6000108.1
333D52.1Low51.6Low246 Ų246180.7 Ų180.7100%1.31686%0.856SS**  trans-147.20147.7-94.2-22.3000107.3

Retrieved 333 of 333 residues in 48.6 ms (Link to these results)